| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.2 | Very low | 45.6 | Very low | 224 Ų | 224 | 141.3 Ų | 141.3 | 100% | 1.103 | 80% | 0.798 | S | S | * | * | 0 | 74.7 | 0 | -65.8 | -175.4 | -173.8 | 0 | 0 | 110.3 | |||||
| 2 | D | 44.5 | Very low | 45.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | cis | -150.9 | 115.2 | -20.5 | -74.3 | -44.3 | 0 | 0 | 0 | 107.5 | ||||
| 3 | I | 50.1 | Low | 45.6 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 67% | 0.672 | 78% | 0.775 | S | S | * | * | 56.5 | 141.1 | 101.5 | -29.7 | 138.3 | 0 | 0 | 0 | 116.4 | |||||
| 4 | N | 49.9 | Very low | 45.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 93.4 | 129 | 165.2 | -48.6 | -59.2 | 0 | 0 | 0 | 115 | ||||
| 5 | G | 43.6 | Very low | 45.3 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | cis | 117.1 | 142.6 | 14.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | G | 44.8 | Very low | 45.6 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -159.4 | 161.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | L | 42.6 | Very low | 45.6 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | 45.6 | 119 | 103.2 | -115.2 | 79.2 | 0 | 0 | 0 | 115.8 | |||||
| 8 | F | 45.9 | Very low | 45.9 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | -159.9 | 141.6 | 111.1 | -121.8 | -89.3 | 0 | 0 | 0 | 111.6 | |||||
| 9 | N | 42.8 | Very low | 45.8 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -99.3 | 162.5 | 175.7 | -58.5 | -37.1 | 0 | 0 | 0 | 110 | ||||
| 10 | E | 48.3 | Very low | 46.4 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 174.2 | 155.8 | 144.8 | -100.4 | 174.2 | 166 | 0 | 0 | 108.2 | ||||
| 11 | S | 47 | Very low | 46.5 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | 177.2 | 156.8 | -33.7 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 12 | G | 45.4 | Very low | 46.7 | Very low | 56 Ų | 56 | 143.2 Ų | 143.2 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | trans | 106.8 | 106.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | E | 46 | Very low | 46.8 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 64.7 | 134.2 | 69.3 | -55.2 | 177.3 | 173.2 | 0 | 0 | 110.9 | |||||
| 14 | Y | 46.8 | Very low | 46.8 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -147.6 | 152.3 | 38.1 | -54.3 | -85.9 | 0 | 0 | 0 | 112.5 | ||||
| 15 | E | 40 | Very low | 46.6 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 151.6 | 166 | -68.9 | -176.8 | 120.6 | 0 | 0 | 112.1 | ||||
| 16 | Q | 49.7 | Very low | 46.6 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -146.5 | 119.7 | 142.9 | -157.1 | 86.4 | 74 | 0 | 0 | 110.3 | ||||
| 17 | T | 45 | Very low | 46.6 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -75.3 | 141.3 | 177.7 | 38.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 18 | I | 51.5 | Low | 47.4 | Very low | 175 Ų | 175 | 147 Ų | 147 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -140.6 | 126.8 | 144.8 | -39.9 | 175.9 | 0 | 0 | 0 | 108.3 | ||||
| 19 | D | 44.7 | Very low | 47.6 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -102.5 | 141.5 | 179.9 | -177.7 | 14 | 0 | 0 | 0 | 108.5 | ||||
| 20 | E | 56.4 | Low | 48.4 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | 177.9 | 136.6 | 144.2 | -103.8 | 173.6 | 175.2 | 0 | 0 | 115.2 | ||||
| 21 | Q | 49.5 | Very low | 48.5 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | 59.3 | 98.6 | 157.1 | -101.7 | 85.1 | 77.9 | 0 | 0 | 121.5 | ||||
| 22 | I | 46.1 | Very low | 48.8 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -83.9 | 159 | 142.3 | -25.8 | 178.9 | 0 | 0 | 0 | 108.3 | ||||
| 23 | P | 47.2 | Very low | 48.8 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | -144.5 | 177.2 | 92.7 | 37.3 | -20 | 0 | 0 | 0 | 114.3 | |||||
| 24 | A | 50.8 | Low | 48.7 | Very low | 82 Ų | 82 | 156.3 Ų | 156.3 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -124.9 | -163.8 | -159.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 25 | I | 44.8 | Very low | 48.7 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | 77 | 114.7 | 157.8 | -26.1 | -179.4 | 0 | 0 | 0 | 116.3 | ||||
| 26 | Y | 44.1 | Very low | 49.3 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | -173.9 | 123.2 | 101.9 | -152.5 | -111 | 0 | 0 | 0 | 113.4 | |||||
| 27 | T | 43.2 | Very low | 49.2 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -109.1 | 133.4 | 164.7 | 46.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | S | 61.3 | Low | 49.3 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -124.6 | 112.9 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 29 | E | 49 | Very low | 49.1 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -78 | 142.3 | 164.7 | -53.1 | 178 | 161.1 | 0 | 0 | 108.8 | ||||
| 30 | D | 60.3 | Low | 49.2 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | -167.7 | 144.7 | 120.4 | -139.2 | -25.2 | 0 | 0 | 0 | 111.1 | |||||
| 31 | E | 49.5 | Very low | 48.8 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -81 | 164.6 | 169 | -73.5 | -173.4 | 103.4 | 0 | 0 | 110.5 | ||||
| 32 | H | 53.2 | Low | 48.8 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | 168.7 | 133.6 | 112.4 | -91.2 | 73.8 | 0 | 0 | 0 | 113.9 | |||||
| 33 | T | 46.6 | Very low | 48.8 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 68.9 | 108.5 | 155.4 | 58.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 34 | R | 42.6 | Very low | 48.6 | Very low | 240 Ų | 240 | 142.2 Ų | 142.2 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -73 | 149.6 | 154 | -74.8 | 176.2 | 161.7 | -163.3 | -3.3 | 111.5 | ||||
| 35 | T | 47.6 | Very low | 48.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | -163.7 | 149.3 | 127.4 | 12.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 36 | P | 51.8 | Low | 48.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -127.3 | 149.9 | -166.9 | 40.1 | -25 | 0 | 0 | 0 | 116.8 | ||||
| 37 | V | 48 | Very low | 48.7 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -152 | 113.1 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 38 | V | 47.7 | Very low | 48.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | 83.1 | 131.4 | 49.7 | -171.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 39 | L | 46.4 | Very low | 48 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 82.6 | 106.5 | -180 | -50.7 | -173.9 | 0 | 0 | 0 | 115.9 | ||||
| 40 | S | 47.4 | Very low | 47.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | 94.4 | 144.4 | 80.8 | 76.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 41 | D | 48.2 | Very low | 46.8 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | cis | -163.4 | -176.2 | 8 | -156.4 | -16.5 | 0 | 0 | 0 | 108.9 | ||||
| 42 | T | 48.5 | Very low | 46.5 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | 85.7 | 100.7 | 155.5 | -39.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 43 | S | 45.7 | Very low | 46.2 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | -4.2 | 137 | 148.4 | 59.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 44 | H | 44.6 | Very low | 46.4 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | -172.4 | 130.6 | 106.9 | -103.9 | -68.9 | 0 | 0 | 0 | 112.4 | |||||
| 45 | S | 44.8 | Very low | 46.3 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -99.7 | 143.8 | 163.8 | -48.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 46 | P | 56.6 | Low | 46.3 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -122.4 | 137.2 | 151.6 | 33.8 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 47 | I | 40.5 | Very low | 46.1 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 140.3 | 170.7 | -67.2 | 158.4 | 0 | 0 | 0 | 109 | ||||
| 48 | L | 42.7 | Very low | 45.6 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -150 | 93.6 | 157.2 | -150.6 | 70.1 | 0 | 0 | 0 | 115 | ||||
| 49 | S | 45.7 | Very low | 45.7 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 51.5 | 124.3 | 135.2 | -51.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 50 | D | 42.4 | Very low | 45.4 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -48.5 | 144.2 | 154.5 | -89 | -57.1 | 0 | 0 | 0 | 115 | ||||
| 51 | N | 43.4 | Very low | 45.2 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 163.5 | 124.3 | 113 | -94.6 | -73.4 | 0 | 0 | 0 | 112.2 | |||||
| 52 | R | 42.4 | Very low | 45.4 | Very low | 237 Ų | 237 | 151.1 Ų | 151.1 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | -178.2 | 132.9 | 105.9 | -104.9 | -175.7 | 158.5 | -169.5 | -8 | 114.5 | |||||
| 53 | Q | 46.6 | Very low | 45.1 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -59.8 | 147.8 | 173.6 | -58.3 | 138.9 | -35.6 | 0 | 0 | 113 | ||||
| 54 | K | 51.1 | Low | 45.4 | Very low | 216 Ų | 216 | 159.7 Ų | 159.7 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -147.2 | 105.2 | 143 | -110.6 | 178.9 | -176 | -176.1 | 0 | 111.6 | ||||
| 55 | E | 41.1 | Very low | 45.2 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 135.7 | 172.5 | 167.5 | -162.9 | 163.9 | 0 | 0 | 113.3 | ||||
| 56 | V | 46.1 | Very low | 45.5 | Very low | 135 Ų | 135 | 158.9 Ų | 158.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -151.8 | 106.1 | 146.3 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 57 | Q | 49.2 | Very low | 44.9 | Very low | 150 Ų | 150 | 159.4 Ų | 159.4 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 42.2 | 133.6 | 142.3 | -52.8 | -65.2 | -16.2 | 0 | 0 | 123.4 | ||||
| 58 | P | 37.5 | Very low | 45.1 | Very low | 111 Ų | 111 | 157.7 Ų | 157.7 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -93.4 | 154.4 | 164.6 | 37.7 | -32.2 | 0 | 0 | 0 | 113.1 | ||||
| 59 | L | 48.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -119.2 | 157.5 | 171.3 | -77.8 | 173.5 | 0 | 0 | 0 | 112.8 | ||||
| 60 | R | 40.6 | Very low | 45.5 | Very low | 251 Ų | 251 | 156 Ų | 156 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | trans | -148.1 | 144.5 | -150.8 | -179.7 | -174.7 | -174.8 | -161.5 | 3.1 | 109.9 | ||||
| 61 | G | 42.8 | Very low | 45.7 | Very low | 61 Ų | 61 | 155.6 Ų | 155.6 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | 108.7 | 144.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 62 | D | 52.5 | Low | 45.9 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | cis | -140 | 150.4 | 15.1 | -76.7 | -39.4 | 0 | 0 | 0 | 114.6 | ||||
| 63 | N | 42.3 | Very low | 46.2 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -81 | 146.6 | 171.5 | -69 | -48.8 | 0 | 0 | 0 | 111.8 | ||||
| 64 | K | 51.6 | Low | 46.2 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 95% | 0.952 | 77% | 0.774 | S | S | * | * | trans | -137.9 | 158.9 | 142.1 | -72 | -159.7 | 176.8 | -178.6 | 0 | 111.2 | ||||
| 65 | H | 40 | Very low | 46.1 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 70% | 0.704 | 77% | 0.768 | S | S | * | * | trans | -117.1 | -177.2 | -144.3 | -163.3 | -94.6 | 0 | 0 | 0 | 113.6 | E67 | H65-E67 IonicContact CE1-OE1 2.69Å; H65-E67 PolarHBondContact CE1-OE1 3.27Å; H65-E67 VanDerWaalsContact CE1-OE1 3.31Å | ||
| 66 | V | 51.9 | Low | 46.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 110.1 | 95.5 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 67 | E | 43.9 | Very low | 46.4 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 62% | 0.621 | 76% | 0.758 | S | S | * | * | 64.3 | 137.4 | 72.3 | -69.8 | -159.7 | -170.5 | 0 | 0 | 114.6 | H65 | H65-E67 IonicContact CE1-OE1 2.69Å; H65-E67 PolarHBondContact CE1-OE1 3.27Å; H65-E67 VanDerWaalsContact CE1-OE1 3.31Å | |||
| 68 | N | 44.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | cis | -172.1 | 165.5 | -3.6 | -103.5 | -10.8 | 0 | 0 | 0 | 108.7 | ||||
| 69 | D | 47.8 | Very low | 46.8 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | cis | -170.5 | 169.9 | -17.7 | -169.4 | 12.7 | 0 | 0 | 0 | 110.3 | ||||
| 70 | T | 49.7 | Very low | 46.7 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | 68.5 | 152.8 | 160.8 | 65.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 71 | N | 47.3 | Very low | 47.2 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | -158.1 | 143.5 | -3.6 | -104.4 | -16.2 | 0 | 0 | 0 | 109.4 | ||||
| 72 | D | 46.9 | Very low | 47.2 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 61.3 | 136.9 | 90.1 | -157.3 | 54.9 | 0 | 0 | 0 | 115.5 | |||||
| 73 | S | 47.9 | Very low | 46.9 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | -144.4 | -170.2 | 25.2 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 74 | S | 46.3 | Very low | 47.5 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -163.2 | -165.9 | -170.3 | 57.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 75 | V | 49.4 | Very low | 47.4 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 84.6 | 170 | 162.7 | -111.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 76 | P | 51.4 | Low | 48.1 | Very low | 103 Ų | 103 | 136 Ų | 136 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | -145.6 | -171.2 | -116.1 | 51.7 | -31.6 | 0 | 0 | 0 | 120.5 | |||||
| 77 | S | 43.3 | Very low | 48.4 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 47.1 | 137.4 | 141.5 | -63.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 78 | K | 48.5 | Very low | 48.7 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | 174.2 | 137.7 | 119 | -95.7 | 153.9 | -171.2 | 163.6 | 0 | 118.8 | |||||
| 79 | K | 45.2 | Very low | 49.4 | Very low | 202 Ų | 202 | 135 Ų | 135 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | 83.9 | 154.6 | 140.9 | -70.6 | 177.3 | 178 | -172.4 | 0 | 122.6 | ||||
| 80 | A | 46.4 | Very low | 49.7 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -137.6 | 177.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 81 | R | 50.9 | Low | 50.6 | Low | 242 Ų | 242 | 139.2 Ų | 139.2 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -155.3 | 160.2 | 177.1 | -170.8 | 168.4 | 165.1 | 176.3 | -5.6 | 113.8 | ||||
| 82 | L | 43.1 | Very low | 51.4 | Low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -127.6 | 171.5 | -172.2 | -63.9 | 173.4 | 0 | 0 | 0 | 111.3 | ||||
| 83 | A | 46 | Very low | 51.6 | Low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | cis | -175.5 | 159.7 | -30.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 84 | I | 56.3 | Low | 52.9 | Low | 167 Ų | 167 | 140.5 Ų | 140.5 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -148.3 | 137.8 | -178.4 | -51.7 | 179.3 | 0 | 0 | 0 | 112.1 | ||||
| 85 | P | 48.1 | Very low | 53.7 | Low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -115.1 | 145.5 | 173.3 | 38.4 | -28.5 | 0 | 0 | 0 | 116 | ||||
| 86 | S | 54.8 | Low | 54 | Low | 126 Ų | 126 | 143.9 Ų | 143.9 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -158.4 | 166.1 | 159.5 | 58.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 87 | G | 58.4 | Low | 54.6 | Low | 66 Ų | 66 | 147.3 Ų | 147.3 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | cis | -171.3 | -161.9 | -2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | L | 50.6 | Low | 55.1 | Low | 183 Ų | 183 | 149.4 Ų | 149.4 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -133.8 | 141.9 | 168.1 | -74.2 | 170.8 | 0 | 0 | 0 | 111.4 | ||||
| 89 | V | 59.8 | Low | 55.7 | Low | 114 Ų | 114 | 149.9 Ų | 149.9 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | -103.9 | 141.4 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | Y91 | V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CD2 4.32Å; V89-Y91 HydrophobicContact CG1-CE1 4.14Å; V89-Y91 HydrophobicContact CG1-CE2 3.76Å | ||
| 90 | S | 52.9 | Low | 56 | Low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -111.6 | 140.6 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | Y | 70.1 | Confident | 56.2 | Low | 204 Ų | 204 | 149.9 Ų | 149.9 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -112.3 | 119.6 | 173.7 | -68.4 | -77.4 | 0 | 0 | 0 | 109.7 | V89 | V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CD2 4.32Å; V89-Y91 HydrophobicContact CG1-CE1 4.14Å; V89-Y91 HydrophobicContact CG1-CE2 3.76Å | ||
| 92 | A | 62.5 | Low | 56 | Low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -73.8 | 149.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 93 | I | 51.8 | Low | 56.5 | Low | 164 Ų | 164 | 144.6 Ų | 144.6 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -81.9 | 136 | 174.9 | -136.1 | 160 | 0 | 0 | 0 | 107.7 | ||||
| 94 | D | 74.9 | Confident | 56.4 | Low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -112.2 | 132 | 177.1 | -147.4 | 8.9 | 0 | 0 | 0 | 106.8 | ||||
| 95 | E | 63 | Low | 56.4 | Low | 168 Ų | 168 | 145.8 Ų | 145.8 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -93.1 | 133.3 | -173.2 | -70.1 | 175.8 | 144.6 | 0 | 0 | 110.8 | ||||
| 96 | D | 56.6 | Low | 56.4 | Low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | 31.7 | 122.1 | 146.2 | -50 | -22.4 | 0 | 0 | 0 | 120.4 | ||||
| 97 | D | 63.4 | Low | 56.5 | Low | 174 Ų | 174 | 150.1 Ų | 150.1 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -155.1 | 106.6 | 138 | -108.9 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 98 | D | 53.9 | Low | 56 | Low | 144 Ų | 144 | 154.8 Ų | 154.8 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -88 | 120.8 | 173.6 | -79.9 | -56.8 | 0 | 0 | 0 | 110.6 | ||||
| 99 | E | 61.4 | Low | 56 | Low | 198 Ų | 198 | 152.6 Ų | 152.6 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -129.4 | 126.1 | 156.9 | -78.9 | -154.1 | 165.9 | 0 | 0 | 112.9 | ||||
| 100 | H | 51.5 | Low | 55.2 | Low | 173 Ų | 173 | 154.7 Ų | 154.7 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | trans | -80 | 147.6 | -178.9 | -56.3 | -78.5 | 0 | 0 | 0 | 112.5 | ||||
| 101 | T | 51.2 | Low | 55.1 | Low | 137 Ų | 137 | 155.1 Ų | 155.1 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -159 | 110.9 | 139.9 | 3.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | V | 46.4 | Very low | 54 | Low | 136 Ų | 136 | 153.6 Ų | 153.6 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | trans | -91.2 | 131 | 165.4 | -76.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 103 | L | 53 | Low | 53.2 | Low | 156 Ų | 156 | 152.3 Ų | 152.3 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | -135.2 | 98.7 | 169.9 | -75.4 | 177.2 | 0 | 0 | 0 | 109.2 | ||||
| 104 | D | 44.8 | Very low | 53.2 | Low | 158 Ų | 158 | 152.5 Ų | 152.5 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -69.7 | 129.2 | 164.1 | -65.6 | -52.7 | 0 | 0 | 0 | 109.3 | ||||
| 105 | T | 55.3 | Low | 51.8 | Low | 120 Ų | 120 | 150.5 Ų | 150.5 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -151.8 | 91.1 | 162.6 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | Q107 | T105-Q107 HydrophobicContact CG2-CG 4.48Å; T105-Q107 PolarHBondContact O-N 3.36Å | ||
| 106 | D | 47.2 | Very low | 51.2 | Low | 168 Ų | 168 | 149.3 Ų | 149.3 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -71.8 | 112.5 | 159 | -78.3 | -40.9 | 0 | 0 | 0 | 109.3 | ||||
| 107 | Q | 57.9 | Low | 50.8 | Low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -141.9 | 131 | 153.5 | -72.2 | -157.9 | 4.4 | 0 | 0 | 111.5 | T105 | T105-Q107 HydrophobicContact CG2-CG 4.48Å; T105-Q107 PolarHBondContact O-N 3.36Å | ||
| 108 | N | 47.1 | Very low | 49.9 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -69.7 | 137.8 | 175 | -55.2 | -62.2 | 0 | 0 | 0 | 111.3 | ||||
| 109 | T | 51.2 | Low | 49.7 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -145.7 | 111.7 | 154.5 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 110 | D | 42.7 | Very low | 48.7 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -68.8 | 138.8 | 161.6 | -67.6 | -58 | 0 | 0 | 0 | 110.5 | ||||
| 111 | S | 51.9 | Low | 48.1 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -165.9 | 134.3 | 149.2 | -83.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 112 | D | 46.4 | Very low | 47.5 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -67.7 | 157.3 | 177.5 | -51.1 | -82.3 | 0 | 0 | 0 | 113.2 | ||||
| 113 | G | 45.8 | Very low | 47.5 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 170.6 | 75.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 114 | E | 52.2 | Low | 46.9 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | 57.1 | 109.9 | 134.5 | -62.7 | -84.2 | 104.5 | 0 | 0 | 121.7 | ||||
| 115 | N | 45.8 | Very low | 46.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | 69.2 | 104.5 | 128 | -65.7 | -42 | 0 | 0 | 0 | 123.7 | |||||
| 116 | D | 49.5 | Very low | 46.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 59 | 161.2 | 129.1 | -104.6 | -12.7 | 0 | 0 | 0 | 120.7 | |||||
| 117 | P | 47.7 | Very low | 46.4 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -130.1 | 161 | 1.9 | 38.9 | -21.3 | 0 | 0 | 0 | 117.9 | ||||
| 118 | K | 44.8 | Very low | 45.6 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 74% | 0.735 | 71% | 0.711 | S | S | * | * | trans | -25 | 129.6 | 162.7 | -75.3 | 165.3 | 172.1 | 149.7 | 0 | 116.9 | K120 | K118-K120 PolarHBondContact O-N 2.91Š| ||
| 119 | P | 49.6 | Very low | 45.5 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | trans | -73.5 | 107.2 | 143.5 | 30.6 | -29.2 | 0 | 0 | 0 | 109.2 | G121 | P119-G121 PolarHBondContact O-N 3.41Å; P119-G121 VanDerWaalsContact O-N 3.1Å | ||
| 120 | K | 39.9 | Very low | 45.4 | Very low | 203 Ų | 203 | 118.5 Ų | 118.5 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | trans | -70.2 | 101.3 | 164.2 | -74.4 | -178.2 | 179.1 | 176.6 | 0 | 108.3 | K118 | K118-K120 PolarHBondContact O-N 2.91Š| ||
| 121 | G | 39.4 | Very low | 45.6 | Very low | 52 Ų | 52 | 117 Ų | 117 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | trans | -144.7 | 37.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P119 H123 | P119-G121 PolarHBondContact O-N 3.41Å; P119-G121 VanDerWaalsContact O-N 3.1Å; G121-H123 VanDerWaalsContact C-N 3.26Å; G121-H123 PolarHBondContact O-N 3.45Å | ||
| 122 | D | 39.3 | Very low | 45.5 | Very low | 147 Ų | 147 | 116 Ų | 116 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -69.5 | 87.8 | 173.6 | -173.7 | 7.7 | 0 | 0 | 0 | 109.9 | G124 | D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 WeakPolarHBondContact OD1-CA 3.26Å; D122-G124 PolarHBondContact OD1-N 3.46Å | ||
| 123 | H | 45.6 | Very low | 45.1 | Very low | 152 Ų | 152 | 113.8 Ų | 113.8 | 70% | 0.704 | 64% | 0.642 | S | S | * | * | trans | -100 | 46.5 | 162.1 | -64.5 | -43.9 | 0 | 0 | 0 | 109.5 | G121 F125 | G121-H123 VanDerWaalsContact C-N 3.26Å; G121-H123 PolarHBondContact O-N 3.45Å; H123-F125 HydrophobicContact CB-CZ 4.48Å; H123-F125 WeakPolarHBondContact O-CE1 3.03Å; H123-F125 VanDerWaalsContact O-CE2 3.24Å; H123-F125 WeakPolarHBondContact O-CE2 3.26Å; H123-F125 WeakPolarHBondContact O-CZ 3.4Å; H123-F125 PolarHBondContact O-N 3.11Å; H123-F125 VanDerWaalsContact O-N 3.12Å | ||
| 124 | G | 40.5 | Very low | 45 | Very low | 51 Ų | 51 | 115 Ų | 115 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | trans | -53.3 | 115.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D122 H126 | D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 WeakPolarHBondContact OD1-CA 3.26Å; D122-G124 PolarHBondContact OD1-N 3.46Å; G124-H126 VanDerWaalsContact C-N 3.29Å; G124-H126 PolarHBondContact O-N 3.23Å | ||
| 125 | F | 42.7 | Very low | 44.6 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | trans | -72.1 | 83.6 | -178.8 | -46.6 | -79.4 | 0 | 0 | 0 | 109.1 | H123 L127 K243 | H123-F125 HydrophobicContact CB-CZ 4.48Å; H123-F125 WeakPolarHBondContact O-CE1 3.03Å; H123-F125 VanDerWaalsContact O-CE2 3.24Å; H123-F125 WeakPolarHBondContact O-CE2 3.26Å; H123-F125 WeakPolarHBondContact O-CZ 3.4Å; H123-F125 PolarHBondContact O-N 3.11Å; H123-F125 VanDerWaalsContact O-N 3.12Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 HydrophobicContact CB-CD1 4.43Å; F125-L127 PolarHBondContact O-N 2.74Å; F125-K243 HydrophobicContact CD2-CD 4.02Å; F125-K243 HydrophobicContact CE1-CD 4.39Å; F125-K243 HydrophobicContact CE2-CD 3.58Å; F125-K243 HydrophobicContact CE2-CG 4.45Å; F125-K243 HydrophobicContact CZ-CD 3.83Å | ||
| 126 | H | 41.8 | Very low | 44.2 | Very low | 148 Ų | 148 | 114.7 Ų | 114.7 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | trans | -71.8 | 84.5 | 179.1 | -174.9 | 74.2 | 0 | 0 | 0 | 110.9 | G124 G128 S129 | G124-H126 VanDerWaalsContact C-N 3.29Å; G124-H126 PolarHBondContact O-N 3.23Å; H126-G128 WeakPolarHBondContact NE2-CA 3.42Å; H126-G128 PolarHBondContact O-N 2.93Å; H126-G128 VanDerWaalsContact O-N 3.08Å; H126-S129 PolarHBondContact NE2-N 3.17Å | ||
| 127 | L | 52.6 | Low | 44 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 38% | 0.377 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -2.6 | 172.5 | -86.9 | 111.1 | 0 | 0 | 0 | 114.1 | F125 F235 | F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 HydrophobicContact CB-CD1 4.43Å; F125-L127 PolarHBondContact O-N 2.74Å; L127-F235 HydrophobicContact CD2-CE1 4.28Å; L127-F235 HydrophobicContact CD2-CZ 3.73Å |
| 128 | G | 40.4 | Very low | 43.5 | Very low | 37 Ų | 37 | 111.3 Ų | 111.3 | 38% | 0.381 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -44.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H126 R209 | H126-G128 WeakPolarHBondContact NE2-CA 3.42Å; H126-G128 PolarHBondContact O-N 2.93Å; H126-G128 VanDerWaalsContact O-N 3.08Å; G128-R209 PolarHBondContact O-NH1 3.48Å |
| 129 | S | 44.8 | Very low | 43.8 | Very low | 71 Ų | 71 | 106 Ų | 106 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | trans | -104.2 | 68.8 | -174.3 | -127.6 | 0 | 0 | 0 | 0 | 112.4 | H126 D131 | H126-S129 PolarHBondContact NE2-N 3.17Å; S129-D131 WeakPolarHBondContact CB-OD2 3.24Å; S129-D131 PolarHBondContact O-N 3.29Å; S129-D131 PolarHBondContact OG-OD2 3.13Å | ||
| 130 | M | 49.8 | Very low | 43.2 | Very low | 78 Ų | 78 | 106 Ų | 106 | 38% | 0.384 | 63% | 0.632 | S | S | . | * | trans | -83.4 | 74 | 161 | -82.1 | -74.6 | 162.8 | 0 | 0 | 108.9 | I132 N232 A234 F235 | M130-I132 VanDerWaalsContact C-N 3.27Å; M130-I132 PolarHBondContact O-N 2.96Å; M130-N232 WeakPolarHBondContact CE-ND2 3.44Å; M130-N232 PolarHBondContact SD-ND2 3.18Å; M130-A234 HydrophobicContact CE-CB 4.37Å; M130-F235 HydrophobicContact CE-CE2 4.28Å | ||
| 131 | D | 46.5 | Very low | 43.3 | Very low | 128 Ų | 128 | 99.9 Ų | 99.9 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | trans | -72.5 | 82.6 | 173.7 | -65 | -62.8 | 0 | 0 | 0 | 109.7 | S129 P133 | S129-D131 WeakPolarHBondContact CB-OD2 3.24Å; S129-D131 PolarHBondContact O-N 3.29Å; S129-D131 PolarHBondContact OG-OD2 3.13Å; D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.39Å | ||
| 132 | I | 50.6 | Low | 43.5 | Very low | 101 Ų | 101 | 103.7 Ų | 103.7 | 52% | 0.518 | 63% | 0.626 | S | S | . | * | trans | -66.5 | 116.6 | 168.9 | -58.5 | 173.8 | 0 | 0 | 0 | 106.9 | M130 L134 | M130-I132 VanDerWaalsContact C-N 3.27Å; M130-I132 PolarHBondContact O-N 2.96Å; I132-L134 PolarHBondContact O-N 3.01Å | ||
| 133 | P | 38.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 103.3 Ų | 103.3 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -61.3 | 124.3 | 178.5 | -19.2 | 31.9 | 0 | 0 | 0 | 109.3 | D131 | D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.39Å | ||
| 134 | L | 43.6 | Very low | 42.8 | Very low | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | trans | -136.8 | 134.3 | 179 | -171.4 | 64.3 | 0 | 0 | 0 | 109.9 | I132 | I132-L134 PolarHBondContact O-N 3.01Š| ||
| 135 | D | 43.4 | Very low | 42.5 | Very low | 118 Ų | 118 | 108.5 Ų | 108.5 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | trans | -66.6 | 154.8 | 175 | 80.3 | 78.4 | 0 | 0 | 0 | 111.8 | S137 | D135-S137 PolarHBondContact OD1-N 2.93Å; D135-S137 PolarHBondContact OD1-OG 3.35Å | ||
| 136 | N | 36.7 | Very low | 42.5 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | trans | -107.6 | 75.6 | -174.5 | -173.5 | 80.1 | 0 | 0 | 0 | 109.8 | ||||
| 137 | S | 44.9 | Very low | 42.4 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -104.9 | 110.1 | 167.2 | 47.3 | 0 | 0 | 0 | 0 | 110 | D135 | D135-S137 PolarHBondContact OD1-N 2.93Å; D135-S137 PolarHBondContact OD1-OG 3.35Å | ||
| 138 | G | 37.8 | Very low | 42 | Very low | 83 Ų | 83 | 113 Ų | 113 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | trans | -85.8 | 145.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 139 | G | 51.3 | Low | 42.1 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | -177.2 | 133.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 140 | P | 36.9 | Very low | 42 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -82.5 | 137.6 | 179.2 | 32.8 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 141 | P | 42.7 | Very low | 41.4 | Very low | 74 Ų | 74 | 124 Ų | 124 | 48% | 0.481 | 73% | 0.733 | S | S | . | * | trans | -97.3 | 127.2 | -178.9 | 35.2 | -31.3 | 0 | 0 | 0 | 113.1 | ||||
| 142 | T | 42.1 | Very low | 41.3 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -87.4 | 110.8 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 143 | I | 40.5 | Very low | 40.7 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 41.8 | 116.3 | 134.5 | -58.5 | 176.9 | 0 | 0 | 0 | 119.2 | ||||
| 144 | F | 31.4 | Very low | 40.8 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 34.1 | 116.6 | 145.8 | -68.8 | -108.5 | 0 | 0 | 0 | 121.4 | ||||
| 145 | S | 32.9 | Very low | 40.9 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | 175.5 | 116.6 | 126.1 | -79.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 146 | S | 42.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -172.5 | 112 | 155.2 | -167 | 0 | 0 | 0 | 0 | 110.9 | Q148 | S146-Q148 PolarHBondContact O-N 3.05Š| ||
| 147 | D | 39.6 | Very low | 40.9 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -86.9 | 79.2 | -178.5 | -54.4 | -59.1 | 0 | 0 | 0 | 111.4 | ||||
| 148 | Q | 45.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -119.7 | 122.5 | 170.2 | -68.2 | -159.1 | -1.8 | 0 | 0 | 112 | S146 I150 | S146-Q148 PolarHBondContact O-N 3.05Å; Q148-I150 PolarHBondContact O-N 3.04Å | ||
| 149 | P | 41.3 | Very low | 40.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 126.8 | 174.9 | 28.6 | -33 | 0 | 0 | 0 | 110.2 | N151 | P149-N151 PolarHBondContact O-N 3.49Å; P149-N151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | I | 43.9 | Very low | 40.1 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 104.8 | 173.2 | -59.7 | 174.9 | 0 | 0 | 0 | 108 | Q148 I152 | Q148-I150 PolarHBondContact O-N 3.04Å; I150-I152 HydrophobicContact CG2-CG1 4.18Å; I150-I152 PolarHBondContact O-N 3.35Å | ||
| 151 | N | 37 | Very low | 40.1 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -69.6 | 92.2 | 173.7 | -104.8 | -13.2 | 0 | 0 | 0 | 110.2 | P149 L153 | P149-N151 PolarHBondContact O-N 3.49Å; P149-N151 VanDerWaalsContact O-N 3.09Å; N151-L153 PolarHBondContact O-N 2.92Å | ||
| 152 | I | 44.1 | Very low | 40.3 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 105.9 | 168 | -58.8 | 178.2 | 0 | 0 | 0 | 107.7 | I150 S154 | I150-I152 HydrophobicContact CG2-CG1 4.18Å; I150-I152 PolarHBondContact O-N 3.35Å; I152-S154 PolarHBondContact O-N 2.96Å | ||
| 153 | L | 38.1 | Very low | 40.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 97.4 | 177.9 | -178.1 | 63.8 | 0 | 0 | 0 | 110.2 | N151 Q155 | N151-L153 PolarHBondContact O-N 2.92Å; L153-Q155 PolarHBondContact O-N 3.25Å | ||
| 154 | S | 41.1 | Very low | 40.4 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | trans | -64.4 | 117.9 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | I152 N156 | I152-S154 PolarHBondContact O-N 2.96Å; S154-N156 PolarHBondContact O-N 2.94Å; S154-N156 VanDerWaalsContact OG-CG 3.23Å; S154-N156 PolarHBondContact OG-ND2 2.78Å; S154-N156 PolarHBondContact OG-OD1 2.98Å | ||
| 155 | Q | 44.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -78.2 | 49.9 | 177.5 | -71.3 | -172 | -15 | 0 | 0 | 112.8 | L153 Q157 | L153-Q155 PolarHBondContact O-N 3.25Å; Q155-Q157 PolarHBondContact O-N 3.36Å | ||
| 156 | N | 44.8 | Very low | 41.6 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 32.7 | -178.6 | -70.1 | 6.1 | 0 | 0 | 0 | 113.1 | S154 | S154-N156 PolarHBondContact O-N 2.94Å; S154-N156 VanDerWaalsContact OG-CG 3.23Å; S154-N156 PolarHBondContact OG-ND2 2.78Å; S154-N156 PolarHBondContact OG-OD1 2.98Å | ||
| 157 | Q | 36.6 | Very low | 42.1 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -120 | 60.6 | 171.6 | -106.1 | -169.7 | 91.6 | 0 | 0 | 111.4 | Q155 | Q155-Q157 PolarHBondContact O-N 3.36Š| ||
| 158 | L | 41.5 | Very low | 42.2 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -100.4 | 102.8 | 156.3 | -74.4 | 176.4 | 0 | 0 | 0 | 108.4 | I160 | L158-I160 PolarHBondContact O-N 2.94Š| ||
| 159 | H | 31.5 | Very low | 42.1 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 86.7 | -179.9 | -171.1 | 175.4 | 0 | 0 | 0 | 109.3 | S161 | H159-S161 PolarHBondContact O-N 3.47Š| ||
| 160 | I | 43.1 | Very low | 42 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 107.2 | 172.8 | -60 | 175.2 | 0 | 0 | 0 | 108 | L158 E162 | L158-I160 PolarHBondContact O-N 2.94Å; I160-E162 PolarHBondContact O-N 3.29Å | ||
| 161 | S | 38.2 | Very low | 41.9 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 103.6 | 178.1 | -48.3 | 0 | 0 | 0 | 0 | 110.6 | H159 | H159-S161 PolarHBondContact O-N 3.47Š| ||
| 162 | E | 46.6 | Very low | 42.1 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -80 | 140.5 | 167.7 | -80.7 | -161.8 | 141.2 | 0 | 0 | 112 | I160 | I160-E162 PolarHBondContact O-N 3.29Š| ||
| 163 | P | 39.1 | Very low | 42.2 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -85.3 | 112.8 | 176.6 | 32.8 | -31.9 | 0 | 0 | 0 | 111.7 | ||||
| 164 | V | 45.9 | Very low | 42.2 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -84.2 | 112.9 | 173.5 | -85.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 165 | N | 47.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -97.2 | 115.1 | 165.7 | -87.2 | -17.2 | 0 | 0 | 0 | 111.6 | ||||
| 166 | D | 40.5 | Very low | 42.1 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 82.2 | 154.8 | 135 | -94.6 | -39.9 | 0 | 0 | 0 | 124.6 | ||||
| 167 | V | 53.3 | Low | 41.9 | Very low | 126 Ų | 126 | 147 Ų | 147 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 79 | 96.5 | 170.3 | -160.1 | 0 | 0 | 0 | 0 | 117.9 | N169 | V167-N169 PolarHBondContact O-N 3.48Š| ||
| 168 | K | 42.8 | Very low | 42.2 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -51.6 | 132 | 159.9 | -67.8 | 168.7 | 176.9 | 169.7 | 0 | 111.9 | ||||
| 169 | N | 43.5 | Very low | 42.6 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -135 | 108.2 | 138.3 | -103.8 | -25.1 | 0 | 0 | 0 | 109.4 | V167 | V167-N169 PolarHBondContact O-N 3.48Š| ||
| 170 | S | 38.7 | Very low | 43.5 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -78.3 | 123.1 | 169 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 171 | N | 41.1 | Very low | 44 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | 167.9 | 149.9 | 121 | -79.6 | -20.2 | 0 | 0 | 0 | 112.3 | |||||
| 172 | L | 42.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 89.8 | 135.4 | 160.3 | -135.3 | 72.9 | 0 | 0 | 0 | 118.3 | ||||
| 173 | I | 46 | Very low | 45.5 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | 72.4 | 68.2 | 167.7 | -35 | -176.6 | 0 | 0 | 0 | 116.3 | N175 | I173-N175 HydrophobicContact CG2-CB 4.45Å; I173-N175 PolarHBondContact O-N 2.81Å | ||
| 174 | T | 37.6 | Very low | 46.8 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -60.6 | 118.4 | 133 | -52.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 175 | N | 45.4 | Very low | 47.8 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | trans | 173.1 | 127.3 | 150.8 | -87.3 | -12.7 | 0 | 0 | 0 | 110 | I173 | I173-N175 HydrophobicContact CG2-CB 4.45Å; I173-N175 PolarHBondContact O-N 2.81Å | ||
| 176 | E | 38.4 | Very low | 48.9 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | 50.8 | 71.8 | 150.3 | -46.6 | -44.9 | 121.1 | 0 | 0 | 120.5 | ||||
| 177 | T | 41.8 | Very low | 50.2 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | -129.6 | 33.8 | 159.9 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | S179 | T177-S179 PolarHBondContact O-N 3.28Š| ||
| 178 | K | 42 | Very low | 51.2 | Low | 203 Ų | 203 | 133.4 Ų | 133.4 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -97.9 | 67.4 | 176.1 | -168.3 | -172.7 | 177 | -177.3 | 0 | 111.6 | ||||
| 179 | S | 49.3 | Very low | 52.7 | Low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -163.9 | -22.3 | 168.6 | -126 | 0 | 0 | 0 | 0 | 117.2 | T177 S181 | T177-S179 PolarHBondContact O-N 3.28Å; S179-S181 PolarHBondContact O-N 3.45Å |
| 180 | E | 51.9 | Low | 54 | Low | 153 Ų | 153 | 128.9 Ų | 128.9 | 72% | 0.715 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.8 | -33.6 | -164.2 | -61.3 | -169.5 | 155 | 0 | 0 | 114.9 | H182 T183 | E180-H182 PolarHBondContact O-N 3.25Å; E180-T183 PolarHBondContact O-N 3.08Å; E180-T183 VanDerWaalsContact O-N 3.16Å; E180-T183 PolarHBondContact O-OG1 2.9Å |
| 181 | S | 53.5 | Low | 55.7 | Low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.8 | -28.8 | -176.4 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | S179 T183 T185 | S179-S181 PolarHBondContact O-N 3.45Å; S181-T183 VanDerWaalsContact C-N 3.34Å; S181-T185 PolarHBondContact O-OG1 3.03Å |
| 182 | H | 53.2 | Low | 57.4 | Low | 145 Ų | 145 | 125.8 Ų | 125.8 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 172.6 | -99.2 | -92.1 | 0 | 0 | 0 | 111.4 | E180 L184 T185 E186 | E180-H182 PolarHBondContact O-N 3.25Å; H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.46Å; H182-T185 PolarHBondContact O-N 2.85Å; H182-E186 VanDerWaalsContact O-CB 3.3Å; H182-E186 WeakPolarHBondContact O-CB 3.35Å; H182-E186 PolarHBondContact O-N 3.39Å |
| 183 | T | 62.2 | Low | 59.3 | Low | 64 Ų | 64 | 126.4 Ų | 126.4 | 39% | 0.393 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.8 | -32 | -174.2 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | E180 S181 R187 | E180-T183 PolarHBondContact O-N 3.08Å; E180-T183 VanDerWaalsContact O-N 3.16Å; E180-T183 PolarHBondContact O-OG1 2.9Å; S181-T183 VanDerWaalsContact C-N 3.34Å; T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 VanDerWaalsContact O-CG 3.23Å; T183-R187 WeakPolarHBondContact O-CG 3.42Å; T183-R187 PolarHBondContact O-N 3.34Å |
| 184 | L | 66 | Low | 61.2 | Low | 110 Ų | 110 | 127.3 Ų | 127.3 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.5 | -44.9 | -178.5 | -167.6 | 138 | 0 | 0 | 0 | 111.1 | H182 E186 R187 L188 | H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.46Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-E186 PolarHBondContact O-N 3.21Å; L184-R187 PolarHBondContact O-N 3.38Å; L184-L188 HydrophobicContact CD2-CD1 3.7Å; L184-L188 HydrophobicContact CD2-CG 4.37Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.82Å |
| 185 | T | 68.1 | Low | 63.5 | Low | 83 Ų | 83 | 126.5 Ų | 126.5 | 51% | 0.509 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 174.8 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | S181 H182 L188 I189 | S181-T185 PolarHBondContact O-OG1 3.03Å; H182-T185 PolarHBondContact O-N 2.85Å; T185-L188 PolarHBondContact O-N 3.34Å; T185-I189 HydrophobicContact CG2-CD1 4.13Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.18Å |
| 186 | E | 69.8 | Low | 65.5 | Low | 109 Ų | 109 | 126 Ų | 126 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.5 | -37.4 | -179.9 | -166.4 | 163.9 | -163.9 | 0 | 0 | 112.4 | H182 L184 I189 Q190 | H182-E186 VanDerWaalsContact O-CB 3.3Å; H182-E186 WeakPolarHBondContact O-CB 3.35Å; H182-E186 PolarHBondContact O-N 3.39Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-E186 PolarHBondContact O-N 3.21Å; E186-I189 PolarHBondContact O-N 3.09Å; E186-Q190 WeakPolarHBondContact O-CG 3.42Å; E186-Q190 PolarHBondContact O-N 3.42Å |
| 187 | R | 68.2 | Low | 67.9 | Low | 179 Ų | 179 | 126.4 Ų | 126.4 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.4 | -41.5 | 168.4 | -80.6 | 178.6 | -170.8 | 164.4 | 7 | 112.7 | T183 L184 Q190 A191 | T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 VanDerWaalsContact O-CG 3.23Å; T183-R187 WeakPolarHBondContact O-CG 3.42Å; T183-R187 PolarHBondContact O-N 3.34Å; L184-R187 PolarHBondContact O-N 3.38Å; R187-Q190 PolarHBondContact O-N 2.95Å; R187-A191 VanDerWaalsContact O-CB 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.49Å; R187-A191 PolarHBondContact O-N 3.44Å |
| 188 | L | 72.7 | Confident | 70 | Confident | 107 Ų | 107 | 125.9 Ų | 125.9 | 56% | 0.56 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.9 | -44.4 | 177.6 | -73.5 | 173.7 | 0 | 0 | 0 | 110.8 | L184 T185 Q190 A191 V192 | L184-L188 HydrophobicContact CD2-CD1 3.7Å; L184-L188 HydrophobicContact CD2-CG 4.37Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.82Å; T185-L188 PolarHBondContact O-N 3.34Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.34Å; L188-A191 PolarHBondContact O-N 2.88Å; L188-A191 VanDerWaalsContact O-N 3.09Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.42Å; L188-V192 VanDerWaalsContact O-N 3.1Å |
| 189 | I | 74.4 | Confident | 72.1 | Confident | 122 Ų | 122 | 123.6 Ų | 123.6 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -59.5 | -43.4 | 175.4 | -67.5 | 163.7 | 0 | 0 | 0 | 111.1 | T185 E186 A191 V192 | T185-I189 HydrophobicContact CG2-CD1 4.13Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.18Å; E186-I189 PolarHBondContact O-N 3.09Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.37Å; I189-V192 PolarHBondContact O-N 3.14Å |
| 190 | Q | 71.7 | Confident | 73.8 | Confident | 146 Ų | 146 | 122.3 Ų | 122.3 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.6 | -23.8 | 176.1 | -70.2 | 175.9 | 16.5 | 0 | 0 | 113.7 | E186 R187 L188 | E186-Q190 WeakPolarHBondContact O-CG 3.42Å; E186-Q190 PolarHBondContact O-N 3.42Å; R187-Q190 PolarHBondContact O-N 2.95Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.34Å |
| 191 | A | 74 | Confident | 75.4 | Confident | 70 Ų | 70 | 124.4 Ų | 124.4 | 58% | 0.579 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -85.5 | -17.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R187 L188 I189 Q193 | R187-A191 VanDerWaalsContact O-CB 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.49Å; R187-A191 PolarHBondContact O-N 3.44Å; L188-A191 PolarHBondContact O-N 2.88Å; L188-A191 VanDerWaalsContact O-N 3.09Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.37Å; A191-Q193 PolarHBondContact O-N 2.85Å |
| 192 | V | 76.1 | Confident | 77 | Confident | 109 Ų | 109 | 123 Ų | 123 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | trans | -75.9 | 90.5 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | L188 I189 | L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.42Å; L188-V192 VanDerWaalsContact O-N 3.1Å; I189-V192 PolarHBondContact O-N 3.14Å | ||
| 193 | Q | 83 | Confident | 78.8 | Confident | 176 Ų | 176 | 119.6 Ų | 119.6 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 133.6 | 162 | -63.8 | -177.4 | 27.2 | 0 | 0 | 108.9 | A191 | A191-Q193 PolarHBondContact O-N 2.85Š|
| 194 | L | 85.8 | Confident | 80.3 | Confident | 156 Ų | 156 | 122.6 Ų | 122.6 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.5 | 169.6 | -66.8 | 174 | 0 | 0 | 0 | 109.2 | ||
| 195 | P | 85.6 | Confident | 81.7 | Confident | 117 Ų | 117 | 122.8 Ų | 122.8 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.8 | 171.9 | 27.2 | -34.4 | 0 | 0 | 0 | 109.8 | ||
| 196 | S | 87.2 | Confident | 82.9 | Confident | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 144.8 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 197 | E | 88.6 | Confident | 84.1 | Confident | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 137 | 177.8 | -65.5 | -174.9 | 174.9 | 0 | 0 | 111.4 | T199 | E197-T199 PolarHBondContact O-N 3.43Š|
| 198 | P | 87.8 | Confident | 85.4 | Confident | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.1 | -175.1 | 27 | -34.3 | 0 | 0 | 0 | 110.9 | G200 | P198-G200 PolarHBondContact O-N 2.68Š|
| 199 | T | 84.3 | Confident | 86.5 | Confident | 154 Ų | 154 | 119.5 Ų | 119.5 | 95% | 0.945 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -67.6 | 96.1 | 177.6 | -49 | 0 | 0 | 0 | 0 | 111.3 | E197 | E197-T199 PolarHBondContact O-N 3.43Š|
| 200 | G | 85.7 | Confident | 87.4 | Confident | 64 Ų | 64 | 117.5 Ų | 117.5 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 162.3 | 165.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P198 | P198-G200 PolarHBondContact O-N 2.68Š|
| 201 | H | 85.2 | Confident | 88.5 | Confident | 197 Ų | 197 | 114.1 Ų | 114.1 | 91% | 0.912 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 139.2 | 170.2 | -65.9 | 84.9 | 0 | 0 | 0 | 109.7 | ||
| 202 | C | 86.6 | Confident | 89.4 | Confident | 65 Ų | 65 | 115.3 Ų | 115.3 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 145.5 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | M204 | C202-M204 PolarHBondContact O-N 3.45Š|
| 203 | S | 92.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 112.4 Ų | 112.4 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 126.6 | 170.9 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | V205 L206 Q207 | S203-V205 PolarHBondContact O-N 3.44Å; S203-L206 WeakPolarHBondContact O-CA 3.26Å; S203-L206 WeakPolarHBondContact O-CB 3.26Å; S203-L206 PolarHBondContact O-N 2.93Å; S203-Q207 PolarHBondContact O-N 3.15Å |
| 204 | M | 93.2 | Very high | 90.7 | Very high | 127 Ų | 127 | 106.3 Ų | 106.3 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.2 | -33.8 | -173.6 | -69 | -93.4 | 60 | 0 | 0 | 112.8 | C202 L206 Q207 E208 | C202-M204 PolarHBondContact O-N 3.45Å; M204-L206 VanDerWaalsContact C-N 3.33Å; M204-L206 PolarHBondContact O-N 3.19Å; M204-Q207 HydrophobicContact CE-CB 4.01Å; M204-Q207 HydrophobicContact CE-CG 4.18Å; M204-Q207 PolarHBondContact O-N 3.1Å; M204-E208 WeakPolarHBondContact O-CB 2.94Å; M204-E208 PolarHBondContact O-N 2.82Å |
| 205 | V | 94.7 | Very high | 91 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | S203 R209 | S203-V205 PolarHBondContact O-N 3.44Å; V205-R209 VanDerWaalsContact O-CB 3.28Å; V205-R209 WeakPolarHBondContact O-CB 3.5Å; V205-R209 PolarHBondContact O-N 3.3Å; V205-R209 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 93.6 | Very high | 91.3 | Very high | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72 | -45 | 176.6 | 179.4 | 60.5 | 0 | 0 | 0 | 111 | S203 M204 E208 R209 V210 | S203-L206 WeakPolarHBondContact O-CA 3.26Å; S203-L206 WeakPolarHBondContact O-CB 3.26Å; S203-L206 PolarHBondContact O-N 2.93Å; M204-L206 VanDerWaalsContact C-N 3.33Å; M204-L206 PolarHBondContact O-N 3.19Å; L206-E208 PolarHBondContact O-N 3.29Å; L206-R209 PolarHBondContact O-N 3.23Å; L206-V210 HydrophobicContact CD1-CG2 4.21Å; L206-V210 WeakPolarHBondContact O-CG2 3.26Å; L206-V210 PolarHBondContact O-N 2.86Å |
| 207 | Q | 94.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 98.6 Ų | 98.6 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 177.2 | -176.8 | 167.4 | -7.9 | 0 | 0 | 111.4 | S203 M204 R209 V210 E211 | S203-Q207 PolarHBondContact O-N 3.15Å; M204-Q207 HydrophobicContact CE-CB 4.01Å; M204-Q207 HydrophobicContact CE-CG 4.18Å; M204-Q207 PolarHBondContact O-N 3.1Å; Q207-R209 PolarHBondContact O-N 3Å; Q207-V210 PolarHBondContact O-N 3.39Å; Q207-E211 VanDerWaalsContact O-CB 3.29Å; Q207-E211 WeakPolarHBondContact O-CB 3.43Å; Q207-E211 PolarHBondContact O-N 3.39Å |
| 208 | E | 95.8 | Very high | 91.6 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.2 | -159.4 | -151.9 | 174.3 | 0 | 0 | 112 | M204 L206 E211 R212 | M204-E208 WeakPolarHBondContact O-CB 2.94Å; M204-E208 PolarHBondContact O-N 2.82Å; L206-E208 PolarHBondContact O-N 3.29Å; E208-E211 PolarHBondContact O-N 2.84Å; E208-R212 WeakPolarHBondContact O-CB 3.38Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NH2 2.92Å; E208-R212 PolarHBondContact OE1-NH2 2.99Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 2.97Å |
| 209 | R | 95.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 100.1 Ų | 100.1 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176 | -179.5 | 172.7 | 177.1 | 151.4 | -5.1 | 112 | G128 V205 L206 Q207 A213 | G128-R209 PolarHBondContact O-NH1 3.48Å; V205-R209 VanDerWaalsContact O-CB 3.28Å; V205-R209 WeakPolarHBondContact O-CB 3.5Å; V205-R209 PolarHBondContact O-N 3.3Å; V205-R209 VanDerWaalsContact O-N 3.1Å; L206-R209 PolarHBondContact O-N 3.23Å; Q207-R209 PolarHBondContact O-N 3Å; R209-A213 WeakPolarHBondContact O-CB 3.47Å; R209-A213 PolarHBondContact O-N 3.36Å |
| 210 | V | 94.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -47.7 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | L206 Q207 R212 A213 V214 | L206-V210 HydrophobicContact CD1-CG2 4.21Å; L206-V210 WeakPolarHBondContact O-CG2 3.26Å; L206-V210 PolarHBondContact O-N 2.86Å; Q207-V210 PolarHBondContact O-N 3.39Å; V210-R212 VanDerWaalsContact C-N 3.35Å; V210-R212 PolarHBondContact O-N 3Å; V210-A213 PolarHBondContact O-N 3.04Å; V210-A213 VanDerWaalsContact O-N 3.16Å; V210-V214 HydrophobicContact CG1-CG2 4.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.24Å; V210-V214 PolarHBondContact O-N 3.45Å |
| 211 | E | 94.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 101.7 Ų | 101.7 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | -179.6 | -163.7 | -152.6 | 119.1 | 0 | 0 | 111.7 | Q207 E208 A213 V214 R215 | Q207-E211 VanDerWaalsContact O-CB 3.29Å; Q207-E211 WeakPolarHBondContact O-CB 3.43Å; Q207-E211 PolarHBondContact O-N 3.39Å; E208-E211 PolarHBondContact O-N 2.84Å; E211-A213 PolarHBondContact O-N 3.09Å; E211-V214 PolarHBondContact O-N 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.24Å; E211-R215 WeakPolarHBondContact O-CG 3.34Å; E211-R215 PolarHBondContact O-N 3.06Å; E211-R215 IonicContact OE1-CZ 3.77Å; E211-R215 IonicContact OE1-NE 3.11Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.84Å |
| 212 | R | 93.1 | Very high | 92.2 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.2 | -169 | -174.6 | -60.4 | 124.8 | -2.3 | 112 | E208 V210 R216 | E208-R212 WeakPolarHBondContact O-CB 3.38Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NH2 2.92Å; E208-R212 PolarHBondContact OE1-NH2 2.99Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 2.97Å; V210-R212 VanDerWaalsContact C-N 3.35Å; V210-R212 PolarHBondContact O-N 3Å; R212-R216 PolarHBondContact O-N 3.41Å |
| 213 | A | 91.5 | Very high | 92.3 | Very high | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R209 V210 E211 R216 M217 | R209-A213 WeakPolarHBondContact O-CB 3.47Å; R209-A213 PolarHBondContact O-N 3.36Å; V210-A213 PolarHBondContact O-N 3.04Å; V210-A213 VanDerWaalsContact O-N 3.16Å; E211-A213 PolarHBondContact O-N 3.09Å; A213-R216 PolarHBondContact O-N 3.48Å; A213-M217 WeakPolarHBondContact O-CB 3.31Å; A213-M217 PolarHBondContact O-N 3.1Å |
| 214 | V | 93.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 97.4 Ų | 97.4 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | V210 E211 M217 R218 | V210-V214 HydrophobicContact CG1-CG2 4.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.24Å; V210-V214 PolarHBondContact O-N 3.45Å; E211-V214 PolarHBondContact O-N 3.31Å; V214-M217 PolarHBondContact O-N 2.87Å; V214-R218 WeakPolarHBondContact O-CG 3.44Å; V214-R218 PolarHBondContact O-N 3.25Å |
| 215 | R | 93 | Very high | 92.2 | Very high | 81 Ų | 81 | 93.8 Ų | 93.8 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 174 | -82.3 | -167.3 | -91.8 | 139.1 | -11.9 | 111.8 | E211 M217 R218 L219 | E211-R215 WeakPolarHBondContact O-CB 3.24Å; E211-R215 WeakPolarHBondContact O-CG 3.34Å; E211-R215 PolarHBondContact O-N 3.06Å; E211-R215 IonicContact OE1-CZ 3.77Å; E211-R215 IonicContact OE1-NE 3.11Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.84Å; R215-M217 PolarHBondContact O-N 3.12Å; R215-R218 PolarHBondContact O-N 3.29Å; R215-R218 VanDerWaalsContact O-N 3.17Å; R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 2.99Å |
| 216 | R | 92.5 | Very high | 92 | Very high | 45 Ų | 45 | 92.7 Ų | 92.7 | 17% | 0.17 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -53.4 | -53.2 | 173.3 | 178.6 | 109.4 | 73.2 | -136.4 | 5.1 | 111 | R212 A213 R218 L219 D220 Y223 | R212-R216 PolarHBondContact O-N 3.41Å; A213-R216 PolarHBondContact O-N 3.48Å; R216-R218 PolarHBondContact O-N 3.28Å; R216-R218 VanDerWaalsContact O-N 3.16Å; R216-L219 PolarHBondContact O-N 3.36Å; R216-D220 WeakPolarHBondContact CD-OD2 3.39Å; R216-D220 WeakPolarHBondContact CG-OD2 3.49Å; R216-D220 WeakPolarHBondContact O-CB 3.31Å; R216-D220 PolarHBondContact O-N 3.43Å; R216-Y223 HydrophobicContact CB-CD1 4.35Å; R216-Y223 HydrophobicContact CB-CE1 4.45Å; R216-Y223 HydrophobicContact CG-CD1 3.47Å; R216-Y223 VanDerWaalsContact CG-CD1 3.47Å; R216-Y223 HydrophobicContact CG-CD2 3.64Å; R216-Y223 HydrophobicContact CG-CE1 3.77Å; R216-Y223 HydrophobicContact CG-CE2 3.92Å; R216-Y223 HydrophobicContact CG-CG 3.39Å |
| 217 | M | 91.8 | Very high | 91.9 | Very high | 97 Ų | 97 | 95.5 Ų | 95.5 | 48% | 0.478 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -23.6 | -179.1 | -167.4 | 179.4 | 75 | 0 | 0 | 114.2 | A213 V214 R215 Y223 P225 | A213-M217 WeakPolarHBondContact O-CB 3.31Å; A213-M217 PolarHBondContact O-N 3.1Å; V214-M217 PolarHBondContact O-N 2.87Å; R215-M217 PolarHBondContact O-N 3.12Å; M217-Y223 HydrophobicContact CB-CD1 4.33Å; M217-P225 HydrophobicContact SD-CG 4.46Å |
| 218 | R | 90.7 | Very high | 91.7 | Very high | 196 Ų | 196 | 93.1 Ų | 93.1 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -89.3 | -33.5 | 177.4 | -74.3 | 176.1 | 176 | 172.4 | -0.7 | 114 | V214 R215 R216 | V214-R218 WeakPolarHBondContact O-CG 3.44Å; V214-R218 PolarHBondContact O-N 3.25Å; R215-R218 PolarHBondContact O-N 3.29Å; R215-R218 VanDerWaalsContact O-N 3.17Å; R216-R218 PolarHBondContact O-N 3.28Å; R216-R218 VanDerWaalsContact O-N 3.16Å |
| 219 | L | 91.3 | Very high | 91.4 | Very high | 134 Ų | 134 | 92.6 Ų | 92.6 | 70% | 0.702 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -92.6 | -39.6 | -175.3 | -63.6 | 174.5 | 0 | 0 | 0 | 112.1 | R215 R216 I221 | R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 2.99Å; R216-L219 PolarHBondContact O-N 3.36Å; L219-I221 PolarHBondContact O-N 2.96Å |
| 220 | D | 89.8 | Confident | 91.1 | Very high | 72 Ų | 72 | 91.7 Ų | 91.7 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | trans | -93.6 | 92.2 | -175 | -59.5 | -30.5 | 0 | 0 | 0 | 109.9 | R216 S222 Y223 | R216-D220 WeakPolarHBondContact CD-OD2 3.39Å; R216-D220 WeakPolarHBondContact CG-OD2 3.49Å; R216-D220 WeakPolarHBondContact O-CB 3.31Å; R216-D220 PolarHBondContact O-N 3.43Å; D220-S222 PolarHBondContact O-N 3.27Å; D220-Y223 WeakPolarHBondContact O-CB 3.21Å; D220-Y223 PolarHBondContact O-N 2.93Å | ||
| 221 | I | 85.4 | Confident | 90.8 | Very high | 178 Ų | 178 | 91.7 Ų | 91.7 | 91% | 0.913 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.7 | 179.4 | -60.7 | 171.9 | 0 | 0 | 0 | 112.6 | L219 | L219-I221 PolarHBondContact O-N 2.96Š|
| 222 | S | 87.3 | Confident | 90.6 | Very high | 110 Ų | 110 | 90.4 Ų | 90.4 | 77% | 0.769 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.4 | 177.3 | 61 | 0 | 0 | 0 | 0 | 114.8 | D220 D224 | D220-S222 PolarHBondContact O-N 3.27Å; S222-D224 PolarHBondContact O-N 3Å |
| 223 | Y | 90.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 94.6 Ų | 94.6 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | trans | -85.3 | 97.6 | -179.9 | -177.8 | -96.4 | 0 | 0 | 0 | 111.2 | R216 M217 D220 P225 A228 | R216-Y223 HydrophobicContact CB-CD1 4.35Å; R216-Y223 HydrophobicContact CB-CE1 4.45Å; R216-Y223 HydrophobicContact CG-CD1 3.47Å; R216-Y223 VanDerWaalsContact CG-CD1 3.47Å; R216-Y223 HydrophobicContact CG-CD2 3.64Å; R216-Y223 HydrophobicContact CG-CE1 3.77Å; R216-Y223 HydrophobicContact CG-CE2 3.92Å; R216-Y223 HydrophobicContact CG-CG 3.39Å; M217-Y223 HydrophobicContact CB-CD1 4.33Å; D220-Y223 WeakPolarHBondContact O-CB 3.21Å; D220-Y223 PolarHBondContact O-N 2.93Å; Y223-P225 HydrophobicContact CE1-CB 4.08Å; Y223-A228 HydrophobicContact CE2-CB 4.26Å | ||
| 224 | D | 90.6 | Very high | 90.1 | Very high | 74 Ų | 74 | 94.7 Ų | 94.7 | 40% | 0.396 | 48% | 0.475 | S | S | . | . | trans | -96.5 | 117.4 | 163.5 | 170.1 | 20.6 | 0 | 0 | 0 | 109.6 | S222 N226 R227 A228 | S222-D224 PolarHBondContact O-N 3Å; D224-N226 VanDerWaalsContact C-N 3.27Å; D224-N226 PolarHBondContact O-N 2.85Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 3.41Å; D224-R227 HydrophobicContact CB-CB 3.89Å; D224-R227 PolarHBondContact O-N 2.97Å; D224-R227 VanDerWaalsContact OD2-CB 3.27Å; D224-R227 WeakPolarHBondContact OD2-CB 3.3Å; D224-R227 PolarHBondContact OD2-N 3.23Å; D224-A228 PolarHBondContact O-N 2.97Å | ||
| 225 | P | 91.1 | Very high | 89.8 | Confident | 50 Ų | 50 | 94.9 Ų | 94.9 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -31 | 176.9 | 26.4 | -34.4 | 0 | 0 | 0 | 112.9 | M217 Y223 A228 I229 | M217-P225 HydrophobicContact SD-CG 4.46Å; Y223-P225 HydrophobicContact CE1-CB 4.08Å; P225-A228 PolarHBondContact O-N 3.29Å; P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.36Å; P225-I229 PolarHBondContact O-N 2.97Å |
| 226 | N | 91 | Very high | 89.5 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -48.1 | 176.8 | 179.6 | 26.7 | 0 | 0 | 0 | 110.3 | D224 A228 I229 Q230 | D224-N226 VanDerWaalsContact C-N 3.27Å; D224-N226 PolarHBondContact O-N 2.85Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 3.41Å; N226-A228 VanDerWaalsContact C-N 3.33Å; N226-A228 PolarHBondContact O-N 2.97Å; N226-I229 WeakPolarHBondContact O-CB 3.5Å; N226-I229 PolarHBondContact O-N 2.91Å; N226-Q230 VanDerWaalsContact CG-NE2 3.32Å; N226-Q230 PolarHBondContact ND2-NE2 3.47Å; N226-Q230 WeakPolarHBondContact O-CG 3.38Å; N226-Q230 PolarHBondContact O-N 3.36Å; N226-Q230 PolarHBondContact OD1-NE2 3.3Å |
| 227 | R | 91.7 | Very high | 89.1 | Confident | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -40.7 | 172 | -174 | 173.9 | 175.8 | -162 | 0.9 | 112.8 | D224 I229 Q230 D231 | D224-R227 HydrophobicContact CB-CB 3.89Å; D224-R227 PolarHBondContact O-N 2.97Å; D224-R227 VanDerWaalsContact OD2-CB 3.27Å; D224-R227 WeakPolarHBondContact OD2-CB 3.3Å; D224-R227 PolarHBondContact OD2-N 3.23Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.5Å; R227-Q230 PolarHBondContact O-N 3.47Å; R227-D231 IonicContact NE-OD2 3.31Å; R227-D231 WeakPolarHBondContact O-CB 3.48Å; R227-D231 PolarHBondContact O-N 3.09Å |
| 228 | A | 90.2 | Very high | 88.7 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y223 D224 P225 N226 N232 | Y223-A228 HydrophobicContact CE2-CB 4.26Å; D224-A228 PolarHBondContact O-N 2.97Å; P225-A228 PolarHBondContact O-N 3.29Å; N226-A228 VanDerWaalsContact C-N 3.33Å; N226-A228 PolarHBondContact O-N 2.97Å; A228-N232 PolarHBondContact O-N 3.02Å |
| 229 | I | 89.4 | Confident | 88.5 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -47.7 | 172 | -67.8 | 162.2 | 0 | 0 | 0 | 110.5 | P225 N226 R227 D231 N232 F235 | P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.36Å; P225-I229 PolarHBondContact O-N 2.97Å; N226-I229 WeakPolarHBondContact O-CB 3.5Å; N226-I229 PolarHBondContact O-N 2.91Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.5Å; I229-D231 VanDerWaalsContact C-N 3.33Å; I229-D231 PolarHBondContact O-N 3.2Å; I229-N232 WeakPolarHBondContact O-CB 3.5Å; I229-N232 PolarHBondContact O-N 2.71Å; I229-N232 VanDerWaalsContact O-N 3.14Å; I229-F235 HydrophobicContact CG2-CB 4.08Å; I229-F235 HydrophobicContact CG2-CD1 3.9Å; I229-F235 HydrophobicContact CG2-CD2 4.24Å; I229-F235 HydrophobicContact CG2-CE1 4.37Å; I229-F235 HydrophobicContact CG2-CG 3.82Å |
| 230 | Q | 88.6 | Confident | 88.4 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 179.8 | -67.8 | 174 | 31.4 | 0 | 0 | 113.4 | N226 R227 N232 R236 | N226-Q230 VanDerWaalsContact CG-NE2 3.32Å; N226-Q230 PolarHBondContact ND2-NE2 3.47Å; N226-Q230 WeakPolarHBondContact O-CG 3.38Å; N226-Q230 PolarHBondContact O-N 3.36Å; N226-Q230 PolarHBondContact OD1-NE2 3.3Å; R227-Q230 PolarHBondContact O-N 3.47Å; Q230-N232 VanDerWaalsContact C-N 3.29Å; Q230-R236 WeakPolarHBondContact O-CG 3.5Å; Q230-R236 PolarHBondContact O-NE 2.85Å |
| 231 | D | 89.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 91.8 Ų | 91.8 | 43% | 0.433 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.6 | -16.5 | 176.5 | -79.5 | -32.5 | 0 | 0 | 0 | 113.2 | R227 I229 K233 R236 | R227-D231 IonicContact NE-OD2 3.31Å; R227-D231 WeakPolarHBondContact O-CB 3.48Å; R227-D231 PolarHBondContact O-N 3.09Å; I229-D231 VanDerWaalsContact C-N 3.33Å; I229-D231 PolarHBondContact O-N 3.2Å; D231-K233 PolarHBondContact O-N 3.05Å; D231-R236 IonicContact OD1-CZ 3.9Å; D231-R236 IonicContact OD1-NH2 2.71Å; D231-R236 PolarHBondContact OD1-NH2 3.28Å |
| 232 | N | 89.9 | Confident | 88.7 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -75.4 | 121.4 | 177.4 | -170.7 | -27.1 | 0 | 0 | 0 | 112.1 | M130 A228 I229 Q230 A234 F235 R236 | M130-N232 WeakPolarHBondContact CE-ND2 3.44Å; M130-N232 PolarHBondContact SD-ND2 3.18Å; A228-N232 PolarHBondContact O-N 3.02Å; I229-N232 WeakPolarHBondContact O-CB 3.5Å; I229-N232 PolarHBondContact O-N 2.71Å; I229-N232 VanDerWaalsContact O-N 3.14Å; Q230-N232 VanDerWaalsContact C-N 3.29Å; N232-A234 PolarHBondContact O-N 2.95Å; N232-A234 VanDerWaalsContact O-N 3.1Å; N232-A234 WeakPolarHBondContact OD1-CB 3.23Å; N232-A234 PolarHBondContact OD1-N 2.88Å; N232-F235 HydrophobicContact CB-CD2 3.99Å; N232-F235 PolarHBondContact O-N 2.8Å; N232-R236 PolarHBondContact O-N 2.84Å |
| 233 | K | 89.2 | Confident | 88.9 | Confident | 182 Ų | 182 | 87.1 Ų | 87.1 | 79% | 0.791 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.7 | -179.4 | -65.8 | 179.6 | -177.5 | -67.4 | 0 | 113.9 | D231 F235 | D231-K233 PolarHBondContact O-N 3.05Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 3.46Å |
| 234 | A | 85 | Confident | 89 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M130 N232 | M130-A234 HydrophobicContact CE-CB 4.37Å; N232-A234 PolarHBondContact O-N 2.95Å; N232-A234 VanDerWaalsContact O-N 3.1Å; N232-A234 WeakPolarHBondContact OD1-CB 3.23Å; N232-A234 PolarHBondContact OD1-N 2.88Å |
| 235 | F | 87.1 | Confident | 89 | Confident | 51 Ų | 51 | 84 Ų | 84 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.3 | -179.4 | -67.7 | -90.9 | 0 | 0 | 0 | 113.5 | L127 M130 I229 N232 K233 N237 | L127-F235 HydrophobicContact CD2-CE1 4.28Å; L127-F235 HydrophobicContact CD2-CZ 3.73Å; M130-F235 HydrophobicContact CE-CE2 4.28Å; I229-F235 HydrophobicContact CG2-CB 4.08Å; I229-F235 HydrophobicContact CG2-CD1 3.9Å; I229-F235 HydrophobicContact CG2-CD2 4.24Å; I229-F235 HydrophobicContact CG2-CE1 4.37Å; I229-F235 HydrophobicContact CG2-CG 3.82Å; N232-F235 HydrophobicContact CB-CD2 3.99Å; N232-F235 PolarHBondContact O-N 2.8Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 3.46Å; F235-N237 VanDerWaalsContact C-N 3.33Å; F235-N237 PolarHBondContact O-N 2.92Å |
| 236 | R | 86.1 | Confident | 89.1 | Confident | 151 Ų | 151 | 87.4 Ų | 87.4 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -77.6 | -10.7 | 179.5 | -75.8 | -176.3 | 173.8 | -150.6 | 3.2 | 114.9 | Q230 D231 N232 P238 | Q230-R236 WeakPolarHBondContact O-CG 3.5Å; Q230-R236 PolarHBondContact O-NE 2.85Å; D231-R236 IonicContact OD1-CZ 3.9Å; D231-R236 IonicContact OD1-NH2 2.71Å; D231-R236 PolarHBondContact OD1-NH2 3.28Å; N232-R236 PolarHBondContact O-N 2.84Å; R236-P238 WeakPolarHBondContact O-CD 3.31Å |
| 237 | N | 84.8 | Confident | 89.2 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -83.1 | 120.2 | 175.6 | 177.4 | 4.4 | 0 | 0 | 0 | 109.2 | F235 S239 I240 | F235-N237 VanDerWaalsContact C-N 3.33Å; F235-N237 PolarHBondContact O-N 2.92Å; N237-S239 PolarHBondContact ND2-OG 3.47Å; N237-S239 PolarHBondContact O-N 3.01Å; N237-S239 VanDerWaalsContact O-N 3.09Å; N237-S239 PolarHBondContact OD1-N 3.02Å; N237-S239 PolarHBondContact OD1-OG 3.1Å; N237-I240 VanDerWaalsContact O-CB 3.31Å; N237-I240 WeakPolarHBondContact O-CB 3.49Å; N237-I240 WeakPolarHBondContact O-CG2 3.14Å; N237-I240 PolarHBondContact O-N 3.37Å |
| 238 | P | 83.7 | Confident | 89.3 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 66% | 0.656 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.4 | 177.6 | -27.4 | 35.7 | 0 | 0 | 0 | 113.8 | R236 I240 Y241 | R236-P238 WeakPolarHBondContact O-CD 3.31Å; P238-I240 PolarHBondContact O-N 3.14Å; P238-Y241 PolarHBondContact O-N 3.45Å |
| 239 | S | 86.6 | Confident | 89.5 | Confident | 49 Ų | 49 | 94.9 Ų | 94.9 | 34% | 0.343 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 7.5 | 177.7 | 96.8 | 0 | 0 | 0 | 0 | 114.2 | N237 | N237-S239 PolarHBondContact ND2-OG 3.47Å; N237-S239 PolarHBondContact O-N 3.01Å; N237-S239 VanDerWaalsContact O-N 3.09Å; N237-S239 PolarHBondContact OD1-N 3.02Å; N237-S239 PolarHBondContact OD1-OG 3.1Å |
| 240 | I | 89.7 | Confident | 89.7 | Confident | 21 Ų | 21 | 95 Ų | 95 | 11% | 0.108 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -77.5 | -29.1 | 170.1 | -161.2 | 59 | 0 | 0 | 0 | 111.2 | N237 P238 K243 L244 | N237-I240 VanDerWaalsContact O-CB 3.31Å; N237-I240 WeakPolarHBondContact O-CB 3.49Å; N237-I240 WeakPolarHBondContact O-CG2 3.14Å; N237-I240 PolarHBondContact O-N 3.37Å; P238-I240 PolarHBondContact O-N 3.14Å; I240-K243 PolarHBondContact O-N 2.84Å; I240-L244 HydrophobicContact CG1-CD1 4.14Å; I240-L244 HydrophobicContact CG1-CG 4.36Å; I240-L244 HydrophobicContact CG2-CD1 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.39Å |
| 241 | Y | 89.5 | Confident | 89.9 | Confident | 154 Ų | 154 | 93 Ų | 93 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.6 | -45.7 | -177.5 | -65.2 | -48.3 | 0 | 0 | 0 | 111.8 | P238 K243 L244 I245 | P238-Y241 PolarHBondContact O-N 3.45Å; Y241-K243 VanDerWaalsContact C-N 3.25Å; Y241-K243 PolarHBondContact O-N 2.96Å; Y241-L244 HydrophobicContact CD1-CD1 4.27Å; Y241-L244 CarbonylContact O-C 3.6Å; Y241-L244 WeakPolarHBondContact O-CA 3.1Å; Y241-L244 WeakPolarHBondContact O-CB 3.47Å; Y241-L244 PolarHBondContact O-N 2.93Å; Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 3.28Å |
| 242 | E | 91.6 | Very high | 90 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -46.5 | -49.8 | 170.2 | -49.5 | -55.4 | 135.5 | 0 | 0 | 111.8 | L244 I245 D246 | E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.13Å; E242-I245 WeakPolarHBondContact O-CB 3.32Å; E242-I245 PolarHBondContact O-N 3.35Å; E242-D246 PolarHBondContact O-N 3.19Å |
| 243 | K | 91.5 | Very high | 90.1 | Very high | 76 Ų | 76 | 100.3 Ų | 100.3 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -29.5 | -179.3 | -69.4 | 168.2 | 176.2 | 171.3 | 0 | 113.3 | F125 I240 Y241 F247 | F125-K243 HydrophobicContact CD2-CD 4.02Å; F125-K243 HydrophobicContact CE1-CD 4.39Å; F125-K243 HydrophobicContact CE2-CD 3.58Å; F125-K243 HydrophobicContact CE2-CG 4.45Å; F125-K243 HydrophobicContact CZ-CD 3.83Å; I240-K243 PolarHBondContact O-N 2.84Å; Y241-K243 VanDerWaalsContact C-N 3.25Å; Y241-K243 PolarHBondContact O-N 2.96Å; K243-F247 WeakPolarHBondContact O-CB 3.36Å; K243-F247 PolarHBondContact O-N 3.28Å |
| 244 | L | 91.6 | Very high | 90.1 | Very high | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.194 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -75.9 | -37 | 175.4 | -72.1 | 168.3 | 0 | 0 | 0 | 111 | I240 Y241 E242 L248 | I240-L244 HydrophobicContact CG1-CD1 4.14Å; I240-L244 HydrophobicContact CG1-CG 4.36Å; I240-L244 HydrophobicContact CG2-CD1 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.39Å; Y241-L244 HydrophobicContact CD1-CD1 4.27Å; Y241-L244 CarbonylContact O-C 3.6Å; Y241-L244 WeakPolarHBondContact O-CA 3.1Å; Y241-L244 WeakPolarHBondContact O-CB 3.47Å; Y241-L244 PolarHBondContact O-N 2.93Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.13Å; L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.32Å; L244-L248 PolarHBondContact O-N 2.93Å |
| 245 | I | 92.4 | Very high | 90.4 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 18% | 0.179 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.8 | -53.3 | 172.1 | -68.6 | 161.2 | 0 | 0 | 0 | 109.3 | Y241 E242 F247 K249 I250 E252 | Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 3.28Å; E242-I245 WeakPolarHBondContact O-CB 3.32Å; E242-I245 PolarHBondContact O-N 3.35Å; I245-F247 PolarHBondContact O-N 3.03Å; I245-K249 WeakPolarHBondContact O-CA 3.06Å; I245-K249 PolarHBondContact O-N 3.42Å; I245-I250 HydrophobicContact CG2-CB 4.35Å; I245-I250 WeakPolarHBondContact CG2-O 3.47Å; I245-I250 PolarHBondContact O-N 3.28Å; I245-E252 HydrophobicContact CD1-CG 4.15Å; I245-E252 HydrophobicContact CG2-CG 3.67Å |
| 246 | D | 92.9 | Very high | 90.6 | Very high | 123 Ų | 123 | 99.3 Ų | 99.3 | 66% | 0.658 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.2 | -50.8 | 175.7 | -75.5 | -25.9 | 0 | 0 | 0 | 112.6 | E242 K249 | E242-D246 PolarHBondContact O-N 3.19Å; D246-K249 PolarHBondContact O-N 3.38Å |
| 247 | F | 93.1 | Very high | 90.8 | Very high | 150 Ų | 150 | 98.5 Ų | 98.5 | 66% | 0.658 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | -174.1 | 177.3 | -100.1 | 0 | 0 | 0 | 112.8 | K243 I245 K249 | K243-F247 WeakPolarHBondContact O-CB 3.36Å; K243-F247 PolarHBondContact O-N 3.28Å; I245-F247 PolarHBondContact O-N 3.03Å; F247-K249 VanDerWaalsContact C-N 3.31Å |
| 248 | L | 93.9 | Very high | 91 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -85.5 | -6 | 177.9 | -61.3 | 173.9 | 0 | 0 | 0 | 112.6 | L244 I250 | L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.32Å; L244-L248 PolarHBondContact O-N 2.93Å; L248-I250 VanDerWaalsContact C-N 3.3Å; L248-I250 HydrophobicContact CB-CD1 3.89Å; L248-I250 HydrophobicContact CB-CG1 3.83Å; L248-I250 HydrophobicContact CD1-CD1 3.92Å; L248-I250 PolarHBondContact O-N 3.38Å |
| 249 | K | 94 | Very high | 91.2 | Very high | 186 Ų | 186 | 98.7 Ų | 98.7 | 81% | 0.809 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 45 | -175.2 | -54.6 | -179.1 | -178.8 | -178.4 | 0 | 112.2 | I245 D246 F247 | I245-K249 WeakPolarHBondContact O-CA 3.06Å; I245-K249 PolarHBondContact O-N 3.42Å; D246-K249 PolarHBondContact O-N 3.38Å; F247-K249 VanDerWaalsContact C-N 3.31Å |
| 250 | I | 92.4 | Very high | 91.5 | Very high | 87 Ų | 87 | 102.9 Ų | 102.9 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | trans | -74.6 | 126.6 | 177.4 | -66 | 166.1 | 0 | 0 | 0 | 108.2 | I245 L248 E252 | I245-I250 HydrophobicContact CG2-CB 4.35Å; I245-I250 WeakPolarHBondContact CG2-O 3.47Å; I245-I250 PolarHBondContact O-N 3.28Å; L248-I250 VanDerWaalsContact C-N 3.3Å; L248-I250 HydrophobicContact CB-CD1 3.89Å; L248-I250 HydrophobicContact CB-CG1 3.83Å; L248-I250 HydrophobicContact CD1-CD1 3.92Å; L248-I250 PolarHBondContact O-N 3.38Å; I250-E252 PolarHBondContact O-N 2.99Å | ||
| 251 | D | 92.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 107.6 Ų | 107.6 | 35% | 0.353 | 54% | 0.54 | S | S | . | . | trans | -76.3 | 108.8 | 164.6 | 172.2 | 8.9 | 0 | 0 | 0 | 108.7 | K253 G254 Y265 | D251-K253 PolarHBondContact O-N 3.08Å; D251-K253 PolarHBondContact OD1-N 3.29Å; D251-G254 VanDerWaalsContact CG-CA 3.43Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 PolarHBondContact OD1-N 3.01Å; D251-G254 WeakPolarHBondContact OD2-CA 3.46Å; D251-G254 PolarHBondContact OD2-N 3.38Å; D251-Y265 PolarHBondContact OD1-OH 3.32Å; D251-Y265 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 252 | E | 92.1 | Very high | 91.7 | Very high | 146 Ų | 146 | 105.4 Ų | 105.4 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.5 | -178.7 | -61.5 | -177.7 | -90.3 | 0 | 0 | 114.1 | I245 I250 | I245-E252 HydrophobicContact CD1-CG 4.15Å; I245-E252 HydrophobicContact CG2-CG 3.67Å; I250-E252 PolarHBondContact O-N 2.99Å |
| 253 | K | 92.2 | Very high | 91.7 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.7 | 177.1 | -61.5 | -178 | -178.6 | 178.2 | 0 | 111.7 | D251 Y262 P264 Y265 | D251-K253 PolarHBondContact O-N 3.08Å; D251-K253 PolarHBondContact OD1-N 3.29Å; K253-Y262 WeakPolarHBondContact O-CE1 3.43Å; K253-P264 HydrophobicContact CB-CB 3.8Å; K253-P264 HydrophobicContact CB-CG 4.03Å; K253-P264 WeakPolarHBondContact O-CG 3.16Å; K253-Y265 HydrophobicContact CD-CE1 4.47Å |
| 254 | G | 89.9 | Confident | 91.7 | Very high | 27 Ų | 27 | 100.4 Ų | 100.4 | 28% | 0.278 | 51% | 0.514 | S | S | . | . | trans | -66.7 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D251 | D251-G254 VanDerWaalsContact CG-CA 3.43Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 PolarHBondContact OD1-N 3.01Å; D251-G254 WeakPolarHBondContact OD2-CA 3.46Å; D251-G254 PolarHBondContact OD2-N 3.38Å | ||
| 255 | T | 90.3 | Very high | 91.7 | Very high | 60 Ų | 60 | 105.3 Ų | 105.3 | 37% | 0.368 | 53% | 0.531 | S | S | . | . | trans | -135.7 | 168.3 | 171.2 | 69.2 | 0 | 0 | 0 | 0 | 109.4 | F257 Y262 | T255-F257 HydrophobicContact CG2-CD2 4.49Å; T255-F257 PolarHBondContact O-N 3.37Å; T255-F257 WeakPolarHBondContact OG1-CB 3.33Å; T255-F257 PolarHBondContact OG1-N 3.18Å; T255-Y262 HydrophobicContact CG2-CD1 3.43Å; T255-Y262 VanDerWaalsContact CG2-CD1 3.43Å; T255-Y262 HydrophobicContact CG2-CE1 3.58Å; T255-Y262 HydrophobicContact CG2-CG 4.12Å | ||
| 256 | N | 91.6 | Very high | 91.7 | Very high | 177 Ų | 177 | 112.3 Ų | 112.3 | 95% | 0.947 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -77.7 | 7.4 | 170.2 | -61.9 | -46.2 | 0 | 0 | 0 | 112.9 | ||
| 257 | F | 90.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 114.6 Ų | 114.6 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -89 | 149.3 | 172 | -59.2 | -69.9 | 0 | 0 | 0 | 110.6 | T255 I261 | T255-F257 HydrophobicContact CG2-CD2 4.49Å; T255-F257 PolarHBondContact O-N 3.37Å; T255-F257 WeakPolarHBondContact OG1-CB 3.33Å; T255-F257 PolarHBondContact OG1-N 3.18Å; F257-I261 HydrophobicContact CB-CB 4.11Å; F257-I261 HydrophobicContact CB-CG2 4.08Å; F257-I261 HydrophobicContact CD1-CD1 4.4Å; F257-I261 HydrophobicContact CD1-CG2 4.38Å; F257-I261 HydrophobicContact CG-CG2 4.22Å |
| 258 | S | 88.3 | Confident | 91.6 | Very high | 78 Ų | 78 | 110.8 Ų | 110.8 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -63 | 152.6 | 171.7 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | D260 I261 Y262 | S258-D260 WeakPolarHBondContact CB-OD1 3.34Å; S258-D260 PolarHBondContact O-N 2.94Å; S258-D260 VanDerWaalsContact O-N 3.13Å; S258-I261 WeakPolarHBondContact O-CB 3.41Å; S258-I261 PolarHBondContact O-N 2.87Å; S258-Y262 PolarHBondContact O-N 3.37Å | ||
| 259 | T | 89.6 | Confident | 91.5 | Very high | 111 Ų | 111 | 109.9 Ų | 109.9 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.8 | -173.9 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | Y262 | T259-Y262 WeakPolarHBondContact CA-O 3.5Š|
| 260 | D | 91.2 | Very high | 91.4 | Very high | 137 Ų | 137 | 106.8 Ų | 106.8 | 73% | 0.733 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -28.8 | 168.2 | 63.7 | -41.3 | 0 | 0 | 0 | 112.8 | S258 | S258-D260 WeakPolarHBondContact CB-OD1 3.34Å; S258-D260 PolarHBondContact O-N 2.94Å; S258-D260 VanDerWaalsContact O-N 3.13Å |
| 261 | I | 91.6 | Very high | 91.4 | Very high | 119 Ų | 119 | 104.8 Ų | 104.8 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -48.6 | 176.1 | -59.4 | 173.3 | 0 | 0 | 0 | 110.3 | F257 S258 | F257-I261 HydrophobicContact CB-CB 4.11Å; F257-I261 HydrophobicContact CB-CG2 4.08Å; F257-I261 HydrophobicContact CD1-CD1 4.4Å; F257-I261 HydrophobicContact CD1-CG2 4.38Å; F257-I261 HydrophobicContact CG-CG2 4.22Å; S258-I261 WeakPolarHBondContact O-CB 3.41Å; S258-I261 PolarHBondContact O-N 2.87Å |
| 262 | Y | 92.1 | Very high | 91.5 | Very high | 108 Ų | 108 | 108.1 Ų | 108.1 | 42% | 0.424 | 54% | 0.535 | S | S | . | . | trans | -146.4 | 118.7 | -179.1 | -177.4 | -91.4 | 0 | 0 | 0 | 111.3 | K253 T255 S258 T259 P264 | K253-Y262 WeakPolarHBondContact O-CE1 3.43Å; T255-Y262 HydrophobicContact CG2-CD1 3.43Å; T255-Y262 VanDerWaalsContact CG2-CD1 3.43Å; T255-Y262 HydrophobicContact CG2-CE1 3.58Å; T255-Y262 HydrophobicContact CG2-CG 4.12Å; S258-Y262 PolarHBondContact O-N 3.37Å; T259-Y262 WeakPolarHBondContact CA-O 3.5Å; Y262-P264 HydrophobicContact CE1-CB 3.78Å; Y262-P264 HydrophobicContact CE1-CG 3.94Å | ||
| 263 | D | 92.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 109.6 Ų | 109.6 | 29% | 0.294 | 54% | 0.536 | S | S | . | . | trans | -126.7 | 108.2 | 172.5 | 172.8 | 14.4 | 0 | 0 | 0 | 109 | Y265 R266 | D263-Y265 PolarHBondContact O-N 3.24Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.48Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.46Å; D263-Y265 PolarHBondContact OD1-N 3.38Å; D263-R266 HydrophobicContact CB-CB 4.09Å; D263-R266 WeakPolarHBondContact O-CB 3.1Å; D263-R266 PolarHBondContact O-N 3.3Å; D263-R266 PolarHBondContact OD1-N 3.16Å; D263-R266 WeakPolarHBondContact OD2-CA 3.44Å; D263-R266 WeakPolarHBondContact OD2-CB 3.3Å; D263-R266 PolarHBondContact OD2-N 3.38Å | ||
| 264 | P | 91.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 107.4 Ų | 107.4 | 20% | 0.201 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.8 | 178.6 | 29.9 | -33.3 | 0 | 0 | 0 | 112.8 | K253 Y262 | K253-P264 HydrophobicContact CB-CB 3.8Å; K253-P264 HydrophobicContact CB-CG 4.03Å; K253-P264 WeakPolarHBondContact O-CG 3.16Å; Y262-P264 HydrophobicContact CE1-CB 3.78Å; Y262-P264 HydrophobicContact CE1-CG 3.94Å |
| 265 | Y | 91.5 | Very high | 92.2 | Very high | 140 Ų | 140 | 109.1 Ų | 109.1 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.3 | -177.4 | -59.7 | -69.2 | 0 | 0 | 0 | 113.6 | D251 K253 D263 W267 | D251-Y265 PolarHBondContact OD1-OH 3.32Å; D251-Y265 WeakPolarHBondContact OD2-CE2 3.43Å; K253-Y265 HydrophobicContact CD-CE1 4.47Å; D263-Y265 PolarHBondContact O-N 3.24Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.48Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.46Å; D263-Y265 PolarHBondContact OD1-N 3.38Å; Y265-W267 PolarHBondContact O-N 3.47Å |
| 266 | R | 91.8 | Very high | 92.5 | Very high | 182 Ų | 182 | 111 Ų | 111 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | trans | -60.5 | -18 | -177.5 | -162.7 | 177.5 | 175.4 | -75.7 | -2 | 114.8 | D263 T268 | D263-R266 HydrophobicContact CB-CB 4.09Å; D263-R266 WeakPolarHBondContact O-CB 3.1Å; D263-R266 PolarHBondContact O-N 3.3Å; D263-R266 PolarHBondContact OD1-N 3.16Å; D263-R266 WeakPolarHBondContact OD2-CA 3.44Å; D263-R266 WeakPolarHBondContact OD2-CB 3.3Å; D263-R266 PolarHBondContact OD2-N 3.38Å; R266-T268 PolarHBondContact O-N 3.48Å | ||
| 267 | W | 92 | Very high | 92.7 | Very high | 170 Ų | 170 | 104.1 Ų | 104.1 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | trans | -78 | 111.3 | -176.5 | -62.7 | 117.3 | 0 | 0 | 0 | 112.1 | Y265 | Y265-W267 PolarHBondContact O-N 3.47Š| ||
| 268 | T | 92 | Very high | 92.9 | Very high | 70 Ų | 70 | 102.3 Ų | 102.3 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | trans | -75.2 | 162.9 | 174.9 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | R266 Q270 S271 Y272 | R266-T268 PolarHBondContact O-N 3.48Å; T268-Q270 VanDerWaalsContact CB-OE1 3.3Å; T268-Q270 PolarHBondContact O-N 2.63Å; T268-Q270 PolarHBondContact OG1-OE1 3.19Å; T268-S271 PolarHBondContact N-OG 2.74Å; T268-S271 VanDerWaalsContact O-CB 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.2Å; T268-S271 PolarHBondContact O-N 2.96Å; T268-S271 PolarHBondContact O-OG 3.47Å; T268-Y272 WeakPolarHBondContact O-CD2 3.34Å | ||
| 269 | P | 91.7 | Very high | 93.2 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -49.4 | -31.7 | 176.6 | -32.2 | 38.2 | 0 | 0 | 0 | 115.2 | S271 Y272 E275 | P269-S271 PolarHBondContact O-N 3.2Å; P269-Y272 PolarHBondContact O-N 2.93Å; P269-E275 WeakPolarHBondContact O-CG 3.48Å |
| 270 | Q | 91.7 | Very high | 93.4 | Very high | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -72.3 | -11.3 | 178.6 | -58.8 | 75 | 23.8 | 0 | 0 | 113.9 | T268 L276 | T268-Q270 VanDerWaalsContact CB-OE1 3.3Å; T268-Q270 PolarHBondContact O-N 2.63Å; T268-Q270 PolarHBondContact OG1-OE1 3.19Å; Q270-L276 WeakPolarHBondContact O-CD2 3.49Å |
| 271 | S | 93 | Very high | 93.7 | Very high | 46 Ų | 46 | 100.4 Ų | 100.4 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -88.4 | -14.6 | 178.9 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | T268 P269 L276 | T268-S271 PolarHBondContact N-OG 2.74Å; T268-S271 VanDerWaalsContact O-CB 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.2Å; T268-S271 PolarHBondContact O-N 2.96Å; T268-S271 PolarHBondContact O-OG 3.47Å; P269-S271 PolarHBondContact O-N 3.2Å; S271-L276 WeakPolarHBondContact O-CD1 3.4Å |
| 272 | Y | 94.6 | Very high | 93.8 | Very high | 135 Ų | 135 | 102.1 Ų | 102.1 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -79.7 | 152.4 | 179.4 | -65.3 | -94.5 | 0 | 0 | 0 | 111.1 | T268 P269 E274 E275 L276 | T268-Y272 WeakPolarHBondContact O-CD2 3.34Å; P269-Y272 PolarHBondContact O-N 2.93Å; Y272-E274 PolarHBondContact O-N 3.37Å; Y272-E274 VanDerWaalsContact O-N 3.1Å; Y272-E275 PolarHBondContact O-N 2.94Å; Y272-E275 VanDerWaalsContact O-N 3.15Å; Y272-L276 PolarHBondContact O-N 3.1Å |
| 273 | Y | 96.6 | Very high | 93.9 | Very high | 177 Ų | 177 | 101.2 Ų | 101.2 | 69% | 0.694 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -54.2 | -35.9 | -172.1 | 75.8 | -86.9 | 0 | 0 | 0 | 113.8 | L276 A277 | Y273-L276 PolarHBondContact O-N 2.86Å; Y273-A277 VanDerWaalsContact O-CB 3.24Å; Y273-A277 WeakPolarHBondContact O-CB 3.27Å; Y273-A277 PolarHBondContact O-N 2.99Å |
| 274 | E | 95.9 | Very high | 94 | Very high | 90 Ų | 90 | 101.8 Ų | 101.8 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 178.9 | -73.1 | -67.7 | 179.8 | 0 | 0 | 113.1 | Y272 A277 K278 | Y272-E274 PolarHBondContact O-N 3.37Å; Y272-E274 VanDerWaalsContact O-N 3.1Å; E274-A277 PolarHBondContact O-N 3.45Å; E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 WeakPolarHBondContact O-CG 3.29Å; E274-K278 PolarHBondContact O-N 3.26Å |
| 275 | E | 95.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 104.5 Ų | 104.5 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73 | -35.9 | -179.9 | -68.9 | -53.7 | 129.2 | 0 | 0 | 111.5 | P269 Y272 K278 V279 | P269-E275 WeakPolarHBondContact O-CG 3.48Å; Y272-E275 PolarHBondContact O-N 2.94Å; Y272-E275 VanDerWaalsContact O-N 3.15Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 WeakPolarHBondContact OE1-CD 3.47Å; E275-K278 IonicContact OE1-NZ 2.68Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å; E275-V279 WeakPolarHBondContact O-CB 3.5Å; E275-V279 VanDerWaalsContact O-CG2 3.3Å; E275-V279 WeakPolarHBondContact O-CG2 3.46Å; E275-V279 PolarHBondContact O-N 2.95Å |
| 276 | L | 96 | Very high | 94.3 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.1 | -65 | 176.2 | 0 | 0 | 0 | 111.4 | Q270 S271 Y272 Y273 V279 Q280 | Q270-L276 WeakPolarHBondContact O-CD2 3.49Å; S271-L276 WeakPolarHBondContact O-CD1 3.4Å; Y272-L276 PolarHBondContact O-N 3.1Å; Y273-L276 PolarHBondContact O-N 2.86Å; L276-V279 PolarHBondContact O-N 3.09Å; L276-Q280 WeakPolarHBondContact O-CB 2.87Å; L276-Q280 PolarHBondContact O-N 3.02Å |
| 277 | A | 95.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 100 Ų | 100 | 28% | 0.281 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y273 E274 V279 Q280 N281 | Y273-A277 VanDerWaalsContact O-CB 3.24Å; Y273-A277 WeakPolarHBondContact O-CB 3.27Å; Y273-A277 PolarHBondContact O-N 2.99Å; E274-A277 PolarHBondContact O-N 3.45Å; A277-V279 VanDerWaalsContact C-N 3.34Å; A277-V279 PolarHBondContact O-N 3.09Å; A277-Q280 PolarHBondContact O-N 3.42Å; A277-N281 VanDerWaalsContact O-CB 3.26Å; A277-N281 WeakPolarHBondContact O-CB 3.3Å; A277-N281 PolarHBondContact O-N 2.94Å; A277-N281 PolarHBondContact O-ND2 3.48Å |
| 278 | K | 95.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 96.3 Ų | 96.3 | 41% | 0.409 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 174.3 | -71.3 | 165.9 | -160.3 | 172.7 | 0 | 112.2 | E274 E275 R282 | E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 WeakPolarHBondContact O-CG 3.29Å; E274-K278 PolarHBondContact O-N 3.26Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 WeakPolarHBondContact OE1-CD 3.47Å; E275-K278 IonicContact OE1-NZ 2.68Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å; K278-R282 VanDerWaalsContact O-CB 3.24Å; K278-R282 WeakPolarHBondContact O-CB 3.32Å; K278-R282 PolarHBondContact O-N 3.42Å; K278-R282 VanDerWaalsContact O-N 3.14Å |
| 279 | V | 94 | Very high | 94.4 | Very high | 83 Ų | 83 | 99 Ų | 99 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | E275 L276 A277 R282 E283 | E275-V279 WeakPolarHBondContact O-CB 3.5Å; E275-V279 VanDerWaalsContact O-CG2 3.3Å; E275-V279 WeakPolarHBondContact O-CG2 3.46Å; E275-V279 PolarHBondContact O-N 2.95Å; L276-V279 PolarHBondContact O-N 3.09Å; A277-V279 VanDerWaalsContact C-N 3.34Å; A277-V279 PolarHBondContact O-N 3.09Å; V279-R282 PolarHBondContact O-N 3.03Å; V279-E283 PolarHBondContact O-N 3.33Å; V279-E283 VanDerWaalsContact O-N 3.09Å |
| 280 | Q | 95 | Very high | 94.3 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 178.8 | -177.7 | 177 | -0.8 | 0 | 0 | 111.9 | L276 A277 R282 E283 I284 | L276-Q280 WeakPolarHBondContact O-CB 2.87Å; L276-Q280 PolarHBondContact O-N 3.02Å; A277-Q280 PolarHBondContact O-N 3.42Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.17Å; Q280-E283 PolarHBondContact O-N 2.92Å; Q280-I284 HydrophobicContact CG-CD1 3.85Å; Q280-I284 HydrophobicContact CG-CG1 4.49Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.16Å |
| 281 | N | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 178.4 | -71.1 | -18.8 | 0 | 0 | 0 | 111.5 | A277 E283 I284 D285 | A277-N281 VanDerWaalsContact O-CB 3.26Å; A277-N281 WeakPolarHBondContact O-CB 3.3Å; A277-N281 PolarHBondContact O-N 2.94Å; A277-N281 PolarHBondContact O-ND2 3.48Å; N281-E283 VanDerWaalsContact C-N 3.33Å; N281-E283 PolarHBondContact O-N 3.46Å; N281-I284 PolarHBondContact O-N 3.06Å; N281-D285 WeakPolarHBondContact O-CB 3.43Å; N281-D285 PolarHBondContact O-N 3.41Å |
| 282 | R | 95.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 102.6 Ų | 102.6 | 59% | 0.585 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | 175.2 | -172.1 | -175.2 | -60.6 | 115.2 | -0.3 | 112.4 | K278 V279 Q280 R286 | K278-R282 VanDerWaalsContact O-CB 3.24Å; K278-R282 WeakPolarHBondContact O-CB 3.32Å; K278-R282 PolarHBondContact O-N 3.42Å; K278-R282 VanDerWaalsContact O-N 3.14Å; V279-R282 PolarHBondContact O-N 3.03Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.17Å; R282-R286 WeakPolarHBondContact O-CB 3.39Å; R282-R286 PolarHBondContact O-N 3.47Å; R282-R286 VanDerWaalsContact O-N 3.08Å |
| 283 | E | 94.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.1 | -40.3 | 176.6 | -172.6 | 56.6 | -155 | 0 | 0 | 112 | V279 Q280 N281 D285 R286 L287 | V279-E283 PolarHBondContact O-N 3.33Å; V279-E283 VanDerWaalsContact O-N 3.09Å; Q280-E283 PolarHBondContact O-N 2.92Å; N281-E283 VanDerWaalsContact C-N 3.33Å; N281-E283 PolarHBondContact O-N 3.46Å; E283-D285 PolarHBondContact O-N 2.88Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.37Å; E283-R286 VanDerWaalsContact OE2-CD 3.31Å; E283-R286 WeakPolarHBondContact OE2-CD 3.29Å; E283-L287 HydrophobicContact CG-CD1 4.22Å; E283-L287 WeakPolarHBondContact O-CB 3.38Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.28Å |
| 284 | I | 93.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 34% | 0.338 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 172.8 | -69.8 | 169.3 | 0 | 0 | 0 | 110.5 | Q280 N281 R286 L287 M288 | Q280-I284 HydrophobicContact CG-CD1 3.85Å; Q280-I284 HydrophobicContact CG-CG1 4.49Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.16Å; N281-I284 PolarHBondContact O-N 3.06Å; I284-R286 VanDerWaalsContact C-N 3.35Å; I284-R286 PolarHBondContact O-N 3.03Å; I284-L287 PolarHBondContact O-N 3.16Å; I284-M288 HydrophobicContact CG2-CE 3.81Å; I284-M288 HydrophobicContact CG2-CG 4.34Å; I284-M288 WeakPolarHBondContact O-CB 3.32Å; I284-M288 WeakPolarHBondContact O-CG 3.35Å; I284-M288 PolarHBondContact O-N 2.89Å |
| 285 | D | 95.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 103 Ų | 103 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.9 | -89.8 | -15.7 | 0 | 0 | 0 | 112.6 | N281 E283 M288 K289 | N281-D285 WeakPolarHBondContact O-CB 3.43Å; N281-D285 PolarHBondContact O-N 3.41Å; E283-D285 PolarHBondContact O-N 2.88Å; D285-M288 PolarHBondContact O-N 3.45Å; D285-K289 WeakPolarHBondContact O-CB 3.23Å; D285-K289 VanDerWaalsContact O-CG 3.26Å; D285-K289 WeakPolarHBondContact O-CG 3.32Å; D285-K289 PolarHBondContact O-N 2.98Å |
| 286 | R | 94.9 | Very high | 91.1 | Very high | 146 Ų | 146 | 108 Ų | 108 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -50.2 | 174.6 | 178.9 | -167.6 | 167.6 | 88.2 | 6.3 | 110.6 | R282 E283 I284 K289 M290 | R282-R286 WeakPolarHBondContact O-CB 3.39Å; R282-R286 PolarHBondContact O-N 3.47Å; R282-R286 VanDerWaalsContact O-N 3.08Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.37Å; E283-R286 VanDerWaalsContact OE2-CD 3.31Å; E283-R286 WeakPolarHBondContact OE2-CD 3.29Å; I284-R286 VanDerWaalsContact C-N 3.35Å; I284-R286 PolarHBondContact O-N 3.03Å; R286-K289 PolarHBondContact O-N 3.17Å; R286-M290 WeakPolarHBondContact O-CG 3.5Å; R286-M290 PolarHBondContact O-N 3Å |
| 287 | L | 93.3 | Very high | 89.4 | Confident | 82 Ų | 82 | 107 Ų | 107 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 178.7 | -68.4 | 171.5 | 0 | 0 | 0 | 111.8 | E283 I284 K289 M290 Q291 | E283-L287 HydrophobicContact CG-CD1 4.22Å; E283-L287 WeakPolarHBondContact O-CB 3.38Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.28Å; I284-L287 PolarHBondContact O-N 3.16Å; L287-K289 PolarHBondContact O-N 3.04Å; L287-M290 PolarHBondContact O-N 3.41Å; L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 3.41Å |
| 288 | M | 91.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 111.9 Ų | 111.9 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 175.4 | -75.5 | -158.3 | -171.9 | 0 | 0 | 112.6 | I284 D285 K292 | I284-M288 HydrophobicContact CG2-CE 3.81Å; I284-M288 HydrophobicContact CG2-CG 4.34Å; I284-M288 WeakPolarHBondContact O-CB 3.32Å; I284-M288 WeakPolarHBondContact O-CG 3.35Å; I284-M288 PolarHBondContact O-N 2.89Å; D285-M288 PolarHBondContact O-N 3.45Å; M288-K292 WeakPolarHBondContact O-CB 3.38Å; M288-K292 WeakPolarHBondContact O-CD 3.36Å; M288-K292 WeakPolarHBondContact O-CG 3.49Å; M288-K292 PolarHBondContact O-N 3.41Å |
| 289 | K | 92.2 | Very high | 85.4 | Confident | 126 Ų | 126 | 112.9 Ų | 112.9 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -49.9 | 174.2 | -75.3 | 166.2 | -176.3 | 169.3 | 0 | 111 | D285 R286 L287 Q291 K292 E293 | D285-K289 WeakPolarHBondContact O-CB 3.23Å; D285-K289 VanDerWaalsContact O-CG 3.26Å; D285-K289 WeakPolarHBondContact O-CG 3.32Å; D285-K289 PolarHBondContact O-N 2.98Å; R286-K289 PolarHBondContact O-N 3.17Å; L287-K289 PolarHBondContact O-N 3.04Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; K289-Q291 PolarHBondContact O-N 3.02Å; K289-K292 WeakPolarHBondContact O-CB 2.97Å; K289-K292 PolarHBondContact O-N 3.48Å; K289-E293 PolarHBondContact O-N 3.1Å |
| 290 | M | 89.5 | Confident | 83.3 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.9 | -41.1 | 176.9 | -69.9 | -178.2 | 66.2 | 0 | 0 | 112.7 | R286 L287 K292 E293 L294 | R286-M290 WeakPolarHBondContact O-CG 3.5Å; R286-M290 PolarHBondContact O-N 3Å; L287-M290 PolarHBondContact O-N 3.41Å; M290-K292 PolarHBondContact O-N 2.89Å; M290-E293 PolarHBondContact O-N 3.18Å; M290-L294 WeakPolarHBondContact O-CB 3.3Å; M290-L294 PolarHBondContact O-N 2.91Å |
| 291 | Q | 89.5 | Confident | 81.2 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 51% | 0.505 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -35.2 | 174.7 | -72.7 | -177.7 | 25.2 | 0 | 0 | 113.1 | L287 K289 K295 | L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 3.41Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; K289-Q291 PolarHBondContact O-N 3.02Å; Q291-K295 WeakPolarHBondContact O-CB 3.35Å; Q291-K295 WeakPolarHBondContact O-CD 3.28Å; Q291-K295 VanDerWaalsContact O-CG 3.24Å; Q291-K295 WeakPolarHBondContact O-CG 3.43Å; Q291-K295 PolarHBondContact O-N 2.92Å |
| 292 | K | 90.2 | Very high | 78.5 | Confident | 123 Ų | 123 | 118 Ų | 118 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72 | -30.6 | 176.3 | -74.5 | 165.8 | -175.3 | 172 | 0 | 112 | M288 K289 M290 K296 | M288-K292 WeakPolarHBondContact O-CB 3.38Å; M288-K292 WeakPolarHBondContact O-CD 3.36Å; M288-K292 WeakPolarHBondContact O-CG 3.49Å; M288-K292 PolarHBondContact O-N 3.41Å; K289-K292 WeakPolarHBondContact O-CB 2.97Å; K289-K292 PolarHBondContact O-N 3.48Å; M290-K292 PolarHBondContact O-N 2.89Å; K292-K296 WeakPolarHBondContact O-CD 3.39Å; K292-K296 VanDerWaalsContact O-CG 3.26Å; K292-K296 WeakPolarHBondContact O-CG 3.34Å |
| 293 | E | 86 | Confident | 76.2 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.4 | -49.6 | 174.4 | -73.8 | 168.4 | -171.2 | 0 | 0 | 111.3 | K289 M290 K295 K296 S297 | K289-E293 PolarHBondContact O-N 3.1Å; M290-E293 PolarHBondContact O-N 3.18Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 2.91Å; E293-K296 PolarHBondContact O-N 2.68Å; E293-S297 PolarHBondContact O-N 3.26Å; E293-S297 VanDerWaalsContact O-N 3.11Å; E293-S297 PolarHBondContact O-OG 3.41Å |
| 294 | L | 80.6 | Confident | 73.6 | Confident | 122 Ų | 122 | 118 Ų | 118 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.3 | -38.5 | 178.2 | -173.9 | 63.2 | 0 | 0 | 0 | 112.5 | M290 K296 S297 | M290-L294 WeakPolarHBondContact O-CB 3.3Å; M290-L294 PolarHBondContact O-N 2.91Å; L294-K296 VanDerWaalsContact C-N 3.29Å; L294-K296 PolarHBondContact O-N 3.45Å; L294-S297 WeakPolarHBondContact CA-OG 3.38Å; L294-S297 PolarHBondContact O-N 2.88Å; L294-S297 PolarHBondContact O-OG 3.45Å |
| 295 | K | 80.3 | Confident | 71.6 | Confident | 160 Ų | 160 | 122.1 Ų | 122.1 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -14.9 | 175.9 | -72.1 | 171.1 | -177.4 | 172 | 0 | 114.5 | Q291 E293 | Q291-K295 WeakPolarHBondContact O-CB 3.35Å; Q291-K295 WeakPolarHBondContact O-CD 3.28Å; Q291-K295 VanDerWaalsContact O-CG 3.24Å; Q291-K295 WeakPolarHBondContact O-CG 3.43Å; Q291-K295 PolarHBondContact O-N 2.92Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 2.91Å |
| 296 | K | 73.7 | Confident | 69.2 | Low | 168 Ų | 168 | 125.1 Ų | 125.1 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -19.5 | 176.3 | -74.1 | 172.9 | -177.9 | -179.6 | 0 | 112.5 | K292 E293 L294 D298 | K292-K296 WeakPolarHBondContact O-CD 3.39Å; K292-K296 VanDerWaalsContact O-CG 3.26Å; K292-K296 WeakPolarHBondContact O-CG 3.34Å; E293-K296 PolarHBondContact O-N 2.68Å; L294-K296 VanDerWaalsContact C-N 3.29Å; L294-K296 PolarHBondContact O-N 3.45Å; K296-D298 VanDerWaalsContact C-N 3.29Å; K296-D298 PolarHBondContact O-N 3.49Å |
| 297 | S | 61 | Low | 66.8 | Low | 76 Ų | 76 | 122.2 Ų | 122.2 | 53% | 0.531 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -83.9 | 9.1 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | E293 L294 P299 | E293-S297 PolarHBondContact O-N 3.26Å; E293-S297 VanDerWaalsContact O-N 3.11Å; E293-S297 PolarHBondContact O-OG 3.41Å; L294-S297 WeakPolarHBondContact CA-OG 3.38Å; L294-S297 PolarHBondContact O-N 2.88Å; L294-S297 PolarHBondContact O-OG 3.45Å; S297-P299 WeakPolarHBondContact O-CD 3.38Å |
| 298 | D | 54.5 | Low | 64.5 | Low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -102.7 | 63.8 | 170.8 | -80.4 | -35.9 | 0 | 0 | 0 | 113.9 | K296 N300 | K296-D298 VanDerWaalsContact C-N 3.29Å; K296-D298 PolarHBondContact O-N 3.49Å; D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact O-N 2.85Å | ||
| 299 | P | 51.4 | Low | 62.2 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -91.4 | 42.2 | 173.1 | 39.7 | -37.6 | 0 | 0 | 0 | 112.8 | S297 | S297-P299 WeakPolarHBondContact O-CD 3.38Š| ||
| 300 | N | 50.9 | Low | 60 | Low | 125 Ų | 125 | 123.9 Ų | 123.9 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | trans | -158.1 | 73.6 | 173.2 | -161.7 | 14 | 0 | 0 | 0 | 116.5 | D298 | D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact O-N 2.85Å | ||
| 301 | T | 50.6 | Low | 58 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 87% | 0.871 | 72% | 0.715 | S | S | * | * | trans | -146.4 | 64.8 | 147.9 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 302 | T | 40.3 | Very low | 56 | Low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | trans | -121 | 86.7 | 161 | 50.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 303 | N | 45.7 | Very low | 54.1 | Low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -141.6 | 127.2 | 164.4 | -103.2 | -27.7 | 0 | 0 | 0 | 110.1 | ||||
| 304 | A | 41 | Very low | 52.3 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -101.6 | 115.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 305 | N | 50.6 | Low | 50.8 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -127.5 | 111.4 | 176 | -69 | 83.5 | 0 | 0 | 0 | 109.4 | ||||
| 306 | N | 45.6 | Very low | 49.3 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -90.9 | 153.5 | -164.3 | -157 | 5.6 | 0 | 0 | 0 | 111.8 | ||||
| 307 | S | 44.6 | Very low | 48.1 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | trans | 55.7 | 127.5 | 145.4 | 62.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 308 | T | 44.2 | Very low | 47.4 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 61.7 | 113 | 142.6 | 43.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 309 | S | 43.8 | Very low | 46.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | -161.2 | 145.7 | 105 | -168 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 310 | A | 46 | Very low | 46.5 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -94.8 | 147.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 311 | N | 47.1 | Very low | 46.3 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | 177.5 | 112.6 | 116.4 | -92.4 | -26.5 | 0 | 0 | 0 | 114.6 | |||||
| 312 | A | 48.4 | Very low | 46.1 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 64.3 | 150.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 313 | P | 48.9 | Very low | 46.4 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -123.8 | 168.7 | -150.7 | 41.3 | -27.1 | 0 | 0 | 0 | 115.3 | ||||
| 314 | K | 49.3 | Very low | 45.9 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -139.4 | 149.4 | 155.7 | -70 | -167.4 | 179.2 | 176.5 | 0 | 111.6 | ||||
| 315 | N | 49.2 | Very low | 46 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -98.7 | 174.1 | -156.1 | -107.6 | 9.8 | 0 | 0 | 0 | 114.6 | ||||
| 316 | P | 48.1 | Very low | 45.5 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -98.5 | 165.6 | -154 | 38.9 | -38 | 0 | 0 | 0 | 115.5 | ||||
| 317 | I | 47.9 | Very low | 45.4 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -133.1 | 141.2 | 160.5 | -66.8 | -176.3 | 0 | 0 | 0 | 110 | ||||
| 318 | T | 47.6 | Very low | 45 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -72.2 | 148.2 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 319 | S | 44.5 | Very low | 44.5 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 179.9 | 154.8 | 118.8 | -90.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 320 | T | 43 | Very low | 44.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -60.1 | 148.1 | 176.5 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 321 | D | 45.2 | Very low | 44.5 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | -174.1 | 146.8 | 107 | -86.1 | -16.1 | 0 | 0 | 0 | 112.7 | |||||
| 322 | K | 46.8 | Very low | 44.6 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 158.6 | 171.8 | -101.7 | -174.7 | 176.9 | -177.8 | 0 | 109.8 | ||||
| 323 | P | 46 | Very low | 44.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | -129.8 | 157.5 | 113.4 | 35.3 | -28.9 | 0 | 0 | 0 | 114.1 | |||||
| 324 | S | 36.3 | Very low | 44.6 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -89.4 | 140.3 | 177 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 325 | A | 42.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -138.1 | 118.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 326 | T | 39.9 | Very low | 44.6 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 140.9 | -175.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 327 | S | 43.9 | Very low | 45 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 168.9 | 156.3 | 137.7 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 328 | G | 36.8 | Very low | 45.4 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 93.3 | 99.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 329 | G | 32.5 | Very low | 45.7 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 157.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 330 | S | 44.3 | Very low | 46.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -148.1 | 129.7 | 162.2 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 331 | V | 46.7 | Very low | 47.9 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 117.8 | -179.2 | -76.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 332 | S | 49.5 | Very low | 49.1 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -107.6 | 82.9 | 174 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | G334 | S332-G334 PolarHBondContact O-N 2.79Š| ||
| 333 | T | 47.9 | Very low | 50 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -88.7 | 54.4 | 171.5 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 334 | G | 48.4 | Very low | 51.2 | Low | 52 Ų | 52 | 130.9 Ų | 130.9 | 54% | 0.536 | 77% | 0.765 | S | S | . | * | trans | -84.1 | 111.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S332 I336 | S332-G334 PolarHBondContact O-N 2.79Å; G334-I336 PolarHBondContact O-N 3.34Å | ||
| 335 | Y | 44.9 | Very low | 52.5 | Low | 231 Ų | 231 | 131.6 Ų | 131.6 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -65.6 | 81.1 | 163.4 | -96.2 | -90.6 | 0 | 0 | 0 | 109 | ||||
| 336 | I | 54.2 | Low | 53.5 | Low | 144 Ų | 144 | 130.3 Ų | 130.3 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -90.3 | 104.5 | 163.3 | -60.5 | 179 | 0 | 0 | 0 | 105.4 | G334 P338 | G334-I336 PolarHBondContact O-N 3.34Å; I336-P338 VanDerWaalsContact O-CD 3.26Å; I336-P338 WeakPolarHBondContact O-CD 3.21Å | ||
| 337 | E | 56.2 | Low | 54.1 | Low | 143 Ų | 143 | 127.1 Ų | 127.1 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | -39.8 | 112.3 | 169.6 | -175.2 | -173.6 | -119.5 | 0 | 0 | 110.1 | K339 | E337-K339 PolarHBondContact O-N 2.81Å; E337-K339 IonicContact OE2-NZ 3.96Å | ||
| 338 | P | 55.5 | Low | 54.5 | Low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -66 | 106.1 | -175.1 | -23.4 | 34.7 | 0 | 0 | 0 | 110.3 | I336 K340 | I336-P338 VanDerWaalsContact O-CD 3.26Å; I336-P338 WeakPolarHBondContact O-CD 3.21Å; P338-K340 PolarHBondContact O-N 2.74Å | ||
| 339 | K | 55.9 | Low | 55.7 | Low | 185 Ų | 185 | 131 Ų | 131 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -65.5 | 25.5 | 173.7 | -69.3 | -85.1 | 178.6 | -168.7 | 0 | 113.8 | E337 | E337-K339 PolarHBondContact O-N 2.81Å; E337-K339 IonicContact OE2-NZ 3.96Å |
| 340 | K | 64.9 | Low | 56.5 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -150.1 | 105.5 | 178.1 | -57.9 | 175.1 | -170.4 | 168.3 | 0 | 105.2 | P338 | P338-K340 PolarHBondContact O-N 2.74Š|
| 341 | P | 68.1 | Low | 56.9 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | trans | -58.9 | 142.1 | -179.7 | 24.5 | -33.5 | 0 | 0 | 0 | 110.1 | D345 | P341-D345 HydrophobicContact CB-CB 4.29Š| ||
| 342 | S | 71.2 | Confident | 56.9 | Low | 54 Ų | 54 | 133.9 Ų | 133.9 | 38% | 0.378 | 73% | 0.727 | S | S | . | * | trans | -62.9 | 158.2 | 175.4 | -170.3 | 0 | 0 | 0 | 0 | 110 | W344 D345 T346 | S342-W344 PolarHBondContact O-N 3.35Å; S342-D345 WeakPolarHBondContact CA-OD2 3.29Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å; S342-D345 PolarHBondContact N-OD2 3.26Å; S342-D345 PolarHBondContact O-N 3.2Å; S342-T346 PolarHBondContact O-N 2.92Å; S342-T346 PolarHBondContact O-OG1 3.35Å; S342-T346 VanDerWaalsContact O-OG1 3.13Å | ||
| 343 | K | 63.9 | Low | 56.8 | Low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -12 | 174.8 | -148.6 | 179.5 | -179.1 | -173.2 | 0 | 112.8 | ||
| 344 | W | 71.8 | Confident | 56.7 | Low | 240 Ų | 240 | 134.9 Ų | 134.9 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -18.8 | 174.8 | -59.7 | 94.6 | 0 | 0 | 0 | 113.7 | S342 | S342-W344 PolarHBondContact O-N 3.35Š|
| 345 | D | 64.7 | Low | 56.4 | Low | 120 Ų | 120 | 141.7 Ų | 141.7 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -15.4 | 178.7 | -57.3 | -37.4 | 0 | 0 | 0 | 112.5 | P341 S342 G347 | P341-D345 HydrophobicContact CB-CB 4.29Å; S342-D345 WeakPolarHBondContact CA-OD2 3.29Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å; S342-D345 PolarHBondContact N-OD2 3.26Å; S342-D345 PolarHBondContact O-N 3.2Å; D345-G347 PolarHBondContact O-N 3.31Å |
| 346 | T | 63 | Low | 56.2 | Low | 75 Ų | 75 | 137.3 Ų | 137.3 | 46% | 0.46 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -84.9 | 94.3 | -177.4 | -45.6 | 0 | 0 | 0 | 0 | 109.7 | S342 | S342-T346 PolarHBondContact O-N 2.92Å; S342-T346 PolarHBondContact O-OG1 3.35Å; S342-T346 VanDerWaalsContact O-OG1 3.13Å |
| 347 | G | 52.2 | Low | 55.7 | Low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -51.2 | 146.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D345 P349 | D345-G347 PolarHBondContact O-N 3.31Å; G347-P349 VanDerWaalsContact O-CD 3.26Å; G347-P349 WeakPolarHBondContact O-CD 3.36Å | ||
| 348 | I | 52.7 | Low | 54.9 | Low | 171 Ų | 171 | 134.9 Ų | 134.9 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -47.1 | 109.1 | -166.7 | -57.5 | 167.1 | 0 | 0 | 0 | 111.7 | S350 | I348-S350 PolarHBondContact O-N 2.69Š| ||
| 349 | P | 60.6 | Low | 54.5 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -77.6 | 113.9 | 179.4 | 29.3 | -32 | 0 | 0 | 0 | 110.3 | G347 | G347-P349 VanDerWaalsContact O-CD 3.26Å; G347-P349 WeakPolarHBondContact O-CD 3.36Å | ||
| 350 | S | 50.4 | Low | 54 | Low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -71.6 | 122.7 | 169 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | I348 | I348-S350 PolarHBondContact O-N 2.69Š| ||
| 351 | N | 51.9 | Low | 53.1 | Low | 161 Ų | 161 | 130.9 Ų | 130.9 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | 165.8 | 148.2 | 124 | -160.9 | 6.5 | 0 | 0 | 0 | 110.6 | |||||
| 352 | V | 47.3 | Very low | 52.3 | Low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -120.7 | 134.8 | -174.8 | 171 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 353 | Q | 48.2 | Very low | 51.4 | Low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -179 | 162.3 | 131.8 | -95.4 | -144.8 | -83.6 | 0 | 0 | 113.2 | ||||
| 354 | P | 44.3 | Very low | 50.7 | Low | 84 Ų | 84 | 137 Ų | 137 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | trans | -117.3 | 171.2 | -153.6 | 42.9 | -33.6 | 0 | 0 | 0 | 115.2 | ||||
| 355 | H | 42.7 | Very low | 49.8 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -140.1 | 149 | 164.2 | -65.5 | -63.4 | 0 | 0 | 0 | 112.2 | ||||
| 356 | D | 40.4 | Very low | 48.8 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -110.6 | 168.9 | -157.8 | -84 | -57.3 | 0 | 0 | 0 | 115.8 | ||||
| 357 | T | 43.2 | Very low | 48.8 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 66.8 | 151.2 | 158.1 | 55.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 358 | S | 40.5 | Very low | 49 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -175.5 | 160.7 | -24.1 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | S | 47.4 | Very low | 48.9 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 150.7 | 169.1 | 81.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 360 | E | 44.5 | Very low | 48.3 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -152.6 | 140.3 | 0.3 | -160.8 | 178.4 | 148.1 | 0 | 0 | 113.4 | ||||
| 361 | S | 47 | Very low | 48.4 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 32.3 | 156.5 | 150.3 | -54.7 | 0 | 0 | 0 | 0 | 127 | ||||
| 362 | V | 50.4 | Low | 48.4 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | 90.8 | 131.9 | 155.5 | -173.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 363 | K | 51.8 | Low | 48.9 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | cis | -176.4 | 163.6 | -23.6 | -149.7 | 170.9 | -170.5 | 171.6 | 0 | 108.3 | ||||
| 364 | L | 48.9 | Very low | 49.3 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 73.1 | 145.8 | 164.5 | -54.3 | 163.9 | 0 | 0 | 0 | 115.9 | ||||
| 365 | S | 53.6 | Low | 50.4 | Low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | -154.8 | 146.2 | -6.6 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 366 | V | 43.9 | Very low | 51.4 | Low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -131.6 | 122.7 | 170.6 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 367 | P | 63.3 | Low | 51.9 | Low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -80.7 | 141.1 | 173.1 | 31.8 | -32.5 | 0 | 0 | 0 | 111.9 | ||||
| 368 | P | 55.6 | Low | 52.4 | Low | 106 Ų | 106 | 144.6 Ų | 144.6 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | trans | -105.1 | -174.4 | -176.4 | 40.3 | -35.7 | 0 | 0 | 0 | 114.3 | ||||
| 369 | I | 50.8 | Low | 53.1 | Low | 163 Ų | 163 | 147.2 Ų | 147.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 79.9 | 134.6 | 170.6 | -49.6 | 146.4 | 0 | 0 | 0 | 112.5 | ||||
| 370 | G | 47.8 | Very low | 53.4 | Low | 65 Ų | 65 | 149.1 Ų | 149.1 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | 164.9 | 172.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 371 | N | 53.6 | Low | 54 | Low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | cis | -154.6 | 161.2 | -2.7 | -100 | -15.8 | 0 | 0 | 0 | 109 | ||||
| 372 | L | 50.9 | Low | 54.4 | Low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 2.9 | 135.7 | 156.2 | -76.8 | 59.8 | 0 | 0 | 0 | 119.4 | ||||
| 373 | I | 58.3 | Low | 54.7 | Low | 144 Ų | 144 | 151.9 Ų | 151.9 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | -160.7 | 130.2 | 101.9 | -101.4 | 156.2 | 0 | 0 | 0 | 111.4 | |||||
| 374 | K | 56.1 | Low | 54.9 | Low | 208 Ų | 208 | 150.1 Ų | 150.1 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -122.3 | 127.8 | 164.9 | -157.5 | 178.5 | -173.6 | -175.3 | 0 | 105.1 | ||||
| 375 | R | 67.2 | Low | 55.4 | Low | 218 Ų | 218 | 149.3 Ų | 149.3 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -92.4 | 152.9 | 171.8 | -77.2 | -172.4 | 171.5 | 101.1 | -1.6 | 109.5 | ||||
| 376 | N | 64.3 | Low | 55.6 | Low | 238 Ų | 238 | 153.2 Ų | 153.2 | 100% | 1.273 | 82% | 0.822 | S | S | * | * | trans | -53.9 | 0 | -175.1 | -64.5 | -14.7 | 0 | 0 | 0 | 113.4 |
Retrieved 376 of 376 residues in 231.8 ms
(Link to these results)